Benz(a)anthracene-12-carboxylic acid, 7-methyl-

HCID 148702

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Basic information

CAS: 54720-14-8
Standard SMILES: Cc1c2ccccc2c(C(=O)O)c2c1ccc1ccccc12
InChIKey: FVGOTACWJGRBDR-UHFFFAOYSA-N
Molecular formula: C20H14O2
Average molar mass: 286.3 g/mol
Monoisotopic mass: 286.09937969

Names & identifiers

Preferred name: Benz(a)anthracene-12-carboxylic acid, 7-methyl-
IUPAC: 7-methylbenzo[a]anthracene-12-carboxylic acid

Names & synonyms

Benz(a)anthracene-12-carboxylic acid, 7-methyl-54720-14-87-Methylbenz(a)anthracene-12-carboxylic acidDTXSID002031907-methyltetraphene-12-carboxylic acid

Database identifiers

CAS: 54720-14-8
PubChem CID: 148702
DTXSID: DTXSID00203190

Properties

Computed structural properties

XLogP: 5.6
Topological polar surface area: 37.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 22
Formal charge: 0
Complexity: 431

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