chempirical

Benzilic acid

C14H12O3CAS 76-93-7228.25 g/mol

Open in Covalent MOL file
OHOOH
AlcoholCarboxylic acid

Properties

Molecular formula
C14H12O3
Molar mass
228.25 g/mol
Exact mass
228.0786 Da
Melting point
151 °C
Boiling point
187 °C
pKa
3.05 (18 °C)
logP
2.01Crippen estimate
Polar surface area
57.5 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
3

Hazards

Warning
Irritant (GHS07)

Aggregated from 50 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P270, P301+P317, P330, P501

Identifiers

CAS number
76-93-7
SMILES
O=C(O)C(O)(c1ccccc1)c1ccccc1
InChIKey
UKXSKSHDVLQNKG-UHFFFAOYSA-N
InChI
InChI=1S/C14H12O3/c15-13(16)14(17,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,17H,(H,15,16)

Weigh it out

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

Names and synonyms

16 names · show all
  • Benzeneacetic acid, α-hydroxy-α-phenyl-
  • α-Hydroxy-α-phenylbenzeneacetic acid
  • Diphenylglycolic acid
  • Diphenylhydroxyacetic acid
  • α-Hydroxy-2,2-diphenylacetic acid
  • α,α-Diphenyl-α-hydroxyacetic acid
  • Hydroxydiphenylacetic acid
  • α,α-Diphenylglycolic acid
  • 2-Hydroxy-2,2-diphenylacetic acid
  • 2,2-Diphenyl-2-hydroxyacetic acid
  • α-Hydroxydiphenylacetic acid
  • NSC 2830
  • 2,2-Diphenylglycolic acid
  • 2,2-Diphenyl-2-hydroxyethanoic acid
  • Benzilate
  • Benzilates

Reactions

Work with Benzilic 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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Flurenol467-69-662 % similar Triphenylacetic acid595-91-562 % similar Atrolactic acid515-30-057 % similar 2,2-Diphenylglycine3060-50-255 % similar 2,2-Diphenylpropionic acid5558-66-755 % similar 1-Phenylcyclopropanecarboxylic acid6120-95-255 % similar 2-Methyl-2-phenylpropanoic acid826-55-155 % similar Methyl benzilate76-89-153 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Benzyl salicylate118-58-1 Oxybenzone131-57-7 2-(4-Phenylphenoxy)acetic acid13333-86-3 2-(Benzyloxy)benzoic acid14389-86-7 4-(Benzyloxy)benzoic acid1486-51-7 Desmethoxyyangonin15345-89-8 3'-Methoxy-biphenyl-3-carboxylic acid168618-45-9 2′-Methoxy[1,1′-biphenyl]-3-carboxylic acid168618-47-1

Elsewhere

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