1-(Phenylmethyl) 2-phenylpropanedioate
Properties
- Molecular formula
- C16H14O4
- Molar mass
- 270.28 g/mol
- Exact mass
- 270.0892 Da
- logP
- 2.60Crippen estimate
- Polar surface area
- 63.6 Ų
- H-bond donors / acceptors
- 1 / 3
- Rotatable bonds
- 5
Hazards
Warning
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H335 May cause respiratory irritation80% of notifiers
Aggregated from 5 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
25774-02-1SMILES
O=C(O)C(C(=O)OCc1ccccc1)c1ccccc1InChIKey
QSBAHMROFICXDC-UHFFFAOYSA-NInChI
InChI=1S/C16H14O4/c17-15(18)14(13-9-5-2-6-10-13)16(19)20-11-12-7-3-1-4-8-12/h1-10,14H,11H2,(H,17,18)Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
6 names
- Propanedioic acid, 2-phenyl-, 1-(phenylmethyl) ester
- Malonic acid, phenyl-, monobenzyl ester
- Propanedioic acid, phenyl-, mono(phenylmethyl) ester
- Monobenzyl phenylmalonate
- 2-Phenylmalonic acid monobenzyl ester
- 3-Oxo-2-phenyl-3-phenylmethoxypropanoic acid
Work with 1-(Phenylmethyl) 2-phenylpropanedioate
Similar compounds
Benzyl (2S)-hydroxy(phenyl)acetate62173-99-362 % similar
Benzyl (2R)-hydroxy(phenyl)acetate97415-09-362 % similar
Phenylmalonic acid2613-89-059 % similar
Z-Phg-oh53990-33-358 % similar
L-Tartaric acid dibenzyl ester622-00-458 % similar
(R)-(((Phenylmethoxy)carbonyl)amino)phenylacetic acid17609-52-857 % similar
Benzyl isobutyrate103-28-654 % similar
Benzyl (2S)-2-hydroxypropanoate56777-24-354 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds