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5-Methoxy-1-indanone-3-acetic acid - technical grade, high purity , CAS No.24467-92-3
Basic Description
Synonyms
2-(6-methoxy-3-oxo-2,3-dihydro-1H-inden-1-yl)acetic acid | MFCD00003787 | Oprea1_266175 | 2-(6-methoxy-3-oxo-1,2-dihydroinden-1-yl)acetic acid | 6-Methoxy-3-oxo-2,3-dihydro-1H-indene-1-acetic acid | 5-Methoxy-1-indanone-3-acetic acid | J-015541 | STL52574
Specifications & Purity
technical grade
Grade
technical grade
Product Description
Description
The 5-methoxy-1-indanone-3-acetic acid derivatives are potent inhibitors of chymotrypsin-like activity of the 20S proteasome.
Taxonomic Classification
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 Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
Indanone - Aryl alkyl ketone - Aryl ketone - Anisole - Alkyl aryl ether - Ketone - Monocarboxylic acid or derivatives - Ether - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - 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
Data sources
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.
Names and Identifiers
IUPAC Name
2-(6-methoxy-3-oxo-1,2-dihydroinden-1-yl)acetic acid
INCHI
InChI=1S/C12H12O4/c1-16-8-2-3-9-10(6-8)7(4-11(9)13)5-12(14)15/h2-3,6-7H,4-5H2,1H3,(H,14,15)
InChIKey
QOTZOFGBBCMWEP-UHFFFAOYSA-N
Smiles
COC1=CC2=C(C=C1)C(=O)CC2CC(=O)O
Isomeric SMILES
COC1=CC2=C(C=C1)C(=O)CC2CC(=O)O
Molecular Weight
220.23
Reaxy-Rn
2118149
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2118149&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Solubility
chloroform: soluble 5%, clear, yellow-brown
Molecular Weight
220.220 g/mol
XLogP3
0.900
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
3
Exact Mass
220.074 Da
Monoisotopic Mass
220.074 Da
Topological Polar Surface Area
63.600 Ų
Heavy Atom Count
16
Formal Charge
0
Complexity
299.000
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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