chempirical

Benzyloxyacetic acid

C9H10O3CAS 30379-55-6166.18 g/mol

Open in Covalent MOL file
OHOO
Carboxylic acidEther

Properties

Molecular formula
C9H10O3
Molar mass
166.18 g/mol
Exact mass
166.0630 Da
Melting point
80–81 °C
Boiling point
180–182 °C (at 15 Torr)
logP
1.29Crippen estimate
Polar surface area
46.5 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
4

Identifiers

CAS number
30379-55-6
SMILES
O=C(O)COCc1ccccc1
InChIKey
GRZHHTYDZVRPIC-UHFFFAOYSA-N
InChI
InChI=1S/C9H10O3/c10-9(11)7-12-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,10,11)

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

Names and synonyms

7 names
  • Acetic acid, 2-(phenylmethoxy)-
  • Acetic acid, (phenylmethoxy)-
  • Acetic acid, (benzyloxy)-
  • 2-(Phenylmethoxy)acetic acid
  • Glycolic acid-benzyl ether
  • 2-Benzyloxyacetic acid
  • NSC 153415

Work with Benzyloxyacetic 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

Similar compounds

2-[4-(Phenylmethoxy)phenoxy]acetic acid38559-92-165 % similar 4-Benzyloxyphenylacetic acid6547-53-158 % similar 1-(Phenylmethyl) propanedioate40204-26-057 % similar Phenylacetic acid103-82-257 % similar Phenoxyacetic acid122-59-856 % similar 1,2-Phenylenedioxydiacetic acid5411-14-353 % similar Benzyloxycarbonylglycine1138-80-353 % similar 2-(Benzyloxy)phenylacetic acid22047-88-753 % similar

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

Same formula

2',4'-Dihydroxy-3'-methylacetophenone10139-84-1 (4-Methoxyphenyl)acetic acid104-01-8 Ethyl salicylate118-61-6 Veratraldehyde120-14-9 Ethylparaben120-47-8 Ethylvanillin121-32-4 Methyl anisate121-98-2 2-Ethoxybenzoic acid134-11-2

Elsewhere

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