3-Benzoylbenzeneacetic acid

C₁₅H₁₂O₃CAS 22071-22-3240.26 g/mol

Open in Covalent MOL file

Alcohol Carboxylic Acid Ketone

Properties

Molecular formula: C₁₅H₁₂O₃
Molar mass: 240.26 g/mol
Exact mass: 240.0786 Da
Melting point: 112–113 °C
logP: 2.54Crippen estimate
Polar surface area: 54.4 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 4

Identifiers

CAS number

22071-22-3

SMILES

O=C(O)Cc1cccc(C(=O)c2ccccc2)c1

InChIKey

ALDSXDRDRWDASQ-UHFFFAOYSA-N

InChI

InChI=1S/C15H12O3/c16-14(17)10-11-5-4-8-13(9-11)15(18)12-6-2-1-3-7-12/h1-9H,10H2,(H,16,17)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

6 names

Benzeneacetic acid, 3-benzoyl-
RU 4462
(3-Benzoylphenyl)acetic acid
m-Benzoylphenylacetic acid
2-(3-Benzoylphenyl)acetic acid
Acetic acid, (m-benzoylphenyl)-

Work with 3-Benzoylbenzeneacetic acid

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Same formula

1-(2-Hydroxyphenyl)-3-phenyl-1,3-propanedione1469-94-9 2′-Hydroxyflavanone17348-76-4 1-[2-(Benzoyloxy)phenyl]ethanone4010-33-7 (±)-6-Hydroxyflavanone4250-77-5 Methyl O-benzoylbenzoate606-28-0 7-Hydroxyflavanone6515-36-2 4′-Hydroxyflavanone6515-37-3 2-(4-Methylbenzoyl)benzoic acid85-55-2

Elsewhere

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