Basic Description

Synonyms	DTXSID60885178 \| Oprea1_006565 \| 4-Hydroxy-4-azatricyclo[5.2.1.0(2,6)]dec-8-ene-3,5-dione \| EINECS 244-538-6 \| SY008964 \| SCHEMBL6052 \| N-Hydroxybicyclo[2.2.1]-5-heptene-2,3-dicarboximide \| NSC12953 \| NSC-12953 \| FT-0638143 \| 2-mercapto-6-methylbenzoxazol
Specifications & Purity	≥99%
Storage Temp	Desiccated
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Isoindoles and derivatives
    - Subclass Isoindolines

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Isoindoles and derivatives
Subclass	Isoindolines
Intermediate Tree Nodes	Not available
Direct Parent	Isoindolones
Alternative Parents	Pyrrolidine-2-ones Dicarboximides Lactams Hydroxamic acids Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aliphatic heteropolycyclic compounds
Substituents	Isoindolone - Pyrrolidone - 2-pyrrolidone - Dicarboximide - Pyrrolidine - Hydroxamic acid - Lactam - Carboxylic acid derivative - Azacycle - Organic oxide - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Aliphatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as isoindolones. These are aromatic polycyclic compounds that an isoindole bearing a ketone.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Names and Identifiers

Pubchem Sid	488186554
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488186554
IUPAC Name	4-hydroxy-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
INCHI	InChI=1S/C9H9NO3/c11-8-6-4-1-2-5(3-4)7(6)9(12)10(8)13/h1-2,4-7,13H,3H2
InChIKey	ZUSSTQCWRDLYJA-UHFFFAOYSA-N
Smiles	C1C2C=CC1C3C2C(=O)N(C3=O)O
Isomeric SMILES	C1C2C=CC1C3C2C(=O)N(C3=O)O
WGK Germany	3
Molecular Weight	179.17
Beilstein	13540
Reaxy-Rn	181264
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=181264&ln=

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

24 results found

Lot Number	Certificate Type	Date	Item
H2401475	Certificate of Analysis	Jun 19, 2024	H109329
H2401476	Certificate of Analysis	Jun 19, 2024	H109329
H2401479	Certificate of Analysis	Jun 19, 2024	H109329
E2306109	Certificate of Analysis	Apr 07, 2023	H109329
E2306102	Certificate of Analysis	Apr 07, 2023	H109329
E2306112	Certificate of Analysis	Apr 07, 2023	H109329
E2306113	Certificate of Analysis	Apr 07, 2023	H109329
E2306105	Certificate of Analysis	Apr 07, 2023	H109329
E2306120	Certificate of Analysis	Apr 07, 2023	H109329
E2306110	Certificate of Analysis	Apr 07, 2023	H109329
E2306121	Certificate of Analysis	Apr 07, 2023	H109329
E2306104	Certificate of Analysis	Apr 07, 2023	H109329
E2306114	Certificate of Analysis	Apr 07, 2023	H109329
E2306123	Certificate of Analysis	Apr 07, 2023	H109329
E2306107	Certificate of Analysis	Apr 07, 2023	H109329
E2306103	Certificate of Analysis	Apr 07, 2023	H109329
C1911190	Certificate of Analysis	Jan 04, 2023	H109329
F2206267	Certificate of Analysis	Mar 18, 2022	H109329
F2206406	Certificate of Analysis	Mar 18, 2022	H109329
F2206293	Certificate of Analysis	Mar 18, 2022	H109329
F2206290	Certificate of Analysis	Mar 18, 2022	H109329
F2206265	Certificate of Analysis	Mar 18, 2022	H109329
F2206291	Certificate of Analysis	Mar 18, 2022	H109329
F2206292	Certificate of Analysis	Mar 18, 2022	H109329

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Chemical and Physical Properties

Solubility	Soluble in ethanol
Melt Point(°C)	165-170°C
Molecular Weight	179.170 g/mol
XLogP3	-0.200
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Exact Mass	179.058 Da
Monoisotopic Mass	179.058 Da
Topological Polar Surface Area	57.600 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	306.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	4
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

Citations of This Product

How to Cite Aladdin Scientific Products?

1. Di Fan, Jian Yang, Xinyi Xie, Meifang Cao, Li Xu, Xueqing Qiu, Qiyu Liu, Xinping Ouyang. (2023) Microwave-assisted fractionation of poplar sawdust into high-yield noncondensed lignin and carbohydrates in methanol/p-toluenesulfonic acid. CHEMICAL ENGINEERING JOURNAL, 454 (140237).
2. Yanliang Song, Hairui Ji, Xiaoyou Shi, Xue Yang, Xu Zhang. (2020) Successive organic solvent fractionation and structural characterization of lignin extracted from hybrid poplar by deep eutectic solvent for improving the homogeneity and isolating narrow fractions. RENEWABLE ENERGY, 157 (1025).
3. Zuguang Liu, Xiang Lu, Junkang Xie, Bo Feng, Qiaoning Han. (2019) Synthesis of a novel tunable lignin-based star copolymer and its flocculation performance in the treatment of kaolin suspension. SEPARATION AND PURIFICATION TECHNOLOGY, 210 (355).
4. Xuefei Bai, Chenyu Liu, Simiao Yu, Yongxin Pan, Farishta Shafiq, Weihong Qiao. (2024) Lipase-Responsive Lignin Composite Nanoparticles for the Delivery of Insoluble Bioactives. LANGMUIR, 40 (22): (11610-11625).

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SKU	Size	Availability	Price
H109329-5g	5g	3	$10.90
H109329-10g	10g	3	$16.90
H109329-25g	25g	3	$32.90
H109329-50g	50g	3	$58.90
H109329-100g	100g	3	$104.90
H109329-250g	250g	3	$186.90
H109329-500g	500g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$335.90

N-Hydroxy-5-norbornene-2.3-dicarboxylic imide - 99%, high purity , CAS No.21715-90-2