Benzyl 2-hydroxyacetate

C9H10O3CAS 30379-58-9166.18 g/mol

Open in Covalent MOL file
OOOH
AlcoholEster

Properties

Molecular formula
C9H10O3
Molar mass
166.18 g/mol
Exact mass
166.0630 Da
logP
0.72Crippen estimate
Polar surface area
46.5 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
3

Hazards

Warning
Irritant (GHS07)

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

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
30379-58-9
SMILES
C1=CC=C(C=C1)COC(=O)CO
InChIKey
VPYJBEIOKFRWQZ-UHFFFAOYSA-N
InChI
InChI=1S/C9H10O3/c10-6-9(11)12-7-8-4-2-1-3-5-8/h1-5,10H,6-7H2

Weigh it out

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

Names and synonyms

1 names
  • Benzyl glycolate

Work with Benzyl 2-hydroxyacetate

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

Dibenzyl succinate103-43-569 % similar Dibenzyl malonate15014-25-269 % similar Benzyl phenylacetate102-16-967 % similar Benzyl propionate122-63-463 % similar Phenylmethyl 2-chloroacetate140-18-163 % similar Benzyl bromoacetate5437-45-663 % similar 1-(Phenylmethyl) propanedioate40204-26-062 % similar Benzyl butyrate103-37-759 % 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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