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7-Hydroxy-5-Methoxy-2,3-dihydro-1H-inden-1-one - 95%, high purity , CAS No.76842-70-1

COA

Grade & Purity:

≥95%

Cas Number: 76842-70-1
Molecular Weight: 178.18
PubChem CID: 66519765

In stock

Item Number

H665293

Grouped product items
SKU	Size	Availability	Price	Qty
H665293-50mg	50mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$39.90
H665293-200mg	200mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$89.90

Basic Description

Specifications & Purity	≥95%
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 Benzenoids
  - Class Indanes
    - Subclass Indanones

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Indanes
Subclass	Indanones
Intermediate Tree Nodes	Not available
Direct Parent	Indanones
Alternative Parents	Aryl alkyl ketones Anisoles Alkyl aryl ethers 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Vinylogous acids Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic homopolycyclic compounds
Substituents	Indanone - Anisole - Phenol ether - Aryl ketone - Aryl alkyl ketone - Alkyl aryl ether - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Vinylogous acid - Ketone - Ether - Organic oxygen compound - Organooxygen compound - Organic oxide - Hydrocarbon derivative - Aromatic homopolycyclic compound
Description	This compound belongs to the class of organic compounds known as indanones. These are compounds containing an indane ring bearing a ketone group.
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	7-hydroxy-5-methoxy-2,3-dihydroinden-1-one
INCHI	InChI=1S/C10H10O3/c1-13-7-4-6-2-3-8(11)10(6)9(12)5-7/h4-5,12H,2-3H2,1H3
InChIKey	VQCOEQAJRBAKJT-UHFFFAOYSA-N
Smiles	COC1=CC2=C(C(=O)CC2)C(=C1)O
Isomeric SMILES	COC1=CC2=C(C(=O)CC2)C(=C1)O
PubChem CID	66519765
Molecular Weight	178.18

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

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

Analytical Chart:

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2 results found

Lot Number	Certificate Type	Date	Item
E2420180	Certificate of Analysis	Mar 19, 2024	H665293
E2420182	Certificate of Analysis	Mar 19, 2024	H665293

Chemical and Physical Properties

Molecular Weight	178.180 g/mol
XLogP3	1.800
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	178.063 Da
Monoisotopic Mass	178.063 Da
Topological Polar Surface Area	46.500 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	214.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
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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