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2-(9-Oxoxanthen-2-yl)propionic Acid - ≥98%, high purity , CAS No.30087-33-3

COA

Grade & Purity:

≥98%

Cas Number: 30087-33-3
Molecular Weight: 268.27
PubChem CID: 161655

In stock

Item Number

O303372

Grouped product items
SKU	Size	Availability	Price	Qty
O303372-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$170.90
O303372-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$309.90

View related series

Benzopyrans (61) Oxaanthracene (36) Six-Membered Heterocyclic Compounds (1696)

Basic Description

Synonyms	alpha-Methyl-9-oxo-9H-xanthene-2-acetic acid \| DTXSID80952497 \| alpha-Methyl-2-xanthonylacetic acid \| 2-(9-oxo-9h-xanthen-2-yl)propanoicacid \| Y-5554 \| 9-Oxoxanthen-2-yl-alpha-propionic acid \| SCHEMBL11067358 \| 2-(9-oxo-9h-xanthen-2-yl)propanoic acid
Specifications & Purity	≥98%
Storage Temp	Store at 2-8°C
Shipped In	Wet ice This product requires cold chain shipping. Ground and other economy services are not available.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Benzopyrans
    - Subclass 1-benzopyrans
      - Level5 Dibenzopyrans
        Level6 Xanthenes
        Level7 Xanthones

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Benzopyrans
Subclass	1-benzopyrans
Intermediate Tree Nodes	Dibenzopyrans - Xanthenes
Direct Parent	Xanthones
Alternative Parents	Chromones Pyranones and derivatives Benzenoids Heteroaromatic compounds Oxacyclic compounds Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Xanthone - Chromone - Pyranone - Benzenoid - Pyran - Heteroaromatic compound - Oxacycle - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as xanthones. These are polycyclic aromatic compounds containing a xanthene moiety conjugated to a ketone group at carbon 9. Xanthene is a tricyclic compound made up of two benzene rings linearly fused to each other through a pyran ring.
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

IUPAC Name	2-(9-oxoxanthen-2-yl)propanoic acid
INCHI	InChI=1S/C16H12O4/c1-9(16(18)19)10-6-7-14-12(8-10)15(17)11-4-2-3-5-13(11)20-14/h2-9H,1H3,(H,18,19)
InChIKey	JUCCZCZDAPBGIV-UHFFFAOYSA-N
Smiles	CC(C1=CC2=C(C=C1)OC3=CC=CC=C3C2=O)C(=O)O
Isomeric SMILES	CC(C1=CC2=C(C=C1)OC3=CC=CC=C3C2=O)C(=O)O
Molecular Weight	268.27
Reaxy-Rn	19446687
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=19446687&ln=

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

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

Analytical Chart:

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4 results found

Lot Number	Certificate Type	Date	Item
D2509488	Certificate of Analysis	Mar 31, 2025	O303372
D2509489	Certificate of Analysis	Mar 31, 2025	O303372
D2509486	Certificate of Analysis	Mar 31, 2025	O303372
D2509487	Certificate of Analysis	Mar 31, 2025	O303372

Chemical and Physical Properties

Melt Point(°C)	164-174°C
Molecular Weight	268.260 g/mol
XLogP3	3.400
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	268.074 Da
Monoisotopic Mass	268.074 Da
Topological Polar Surface Area	63.600 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	405.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

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