2-(3-Methoxybenzoyl)benzoic acid

HCID 334075

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Basic information

CAS: 2159-36-6
Standard SMILES: COc1cccc(C(=O)c2ccccc2C(=O)O)c1
InChIKey: HYIUJFPCYPAQBT-UHFFFAOYSA-N
Molecular formula: C15H12O4
Average molar mass: 256.25 g/mol
Monoisotopic mass: 256.07355886

Names & identifiers

Preferred name: 2-(3-Methoxybenzoyl)benzoic acid
IUPAC: 2-(3-methoxybenzoyl)benzoic acid
English name: 2-(3-Methoxybenzoyl)benzoic acid
Molecular formula: C15H12O4
Molecular weight: 256.25

Names & synonyms

2-(3-methoxybenzoyl)benzoic acid2159-36-6MLS003170923MFCD00597875NSC338408SCHEMBL91964322-(3-methoxybenzoyl)benzoicacidDTXSID50318985NSC-338408SMR001874839F396588Benzoic acid, 2-(3-methoxybenzoyl)-

Database identifiers

CAS: 2159-36-6
PubChem CID: 334075
DTXSID: DTXSID50318985

Properties

Computed structural properties

XLogP: 2.4
Topological polar surface area: 63.6 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 4
Heavy atoms: 19
Formal charge: 0
Complexity: 339

Chemistry & industry

Upstream & downstream products

Upstream raw materials

Methanone, [2-(4,5-dihydro-4,4-dimethyl-2-oxazolyl)phenyl](3-methoxyphenyl)-Lithium, (2-carboxyphenyl)-, lithium salt (1:1)3-Methoxybenzoyl chloride

Suppliers1 total

珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]

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