(+)-Phenylsuccinic acid
Properties
- Molecular formula
- C10H10O4
- Molar mass
- 194.19 g/mol
- Exact mass
- 194.0579 Da
- Melting point
- 138–140 °C
- logP
- 1.33Crippen estimate
- Polar surface area
- 74.6 Ų
- H-bond donors / acceptors
- 2 / 2
- Rotatable bonds
- 4
- Stereocentres
- Sin SMILES atom order
Hazards
Warning
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, P362+P364
Identifiers
CAS number
4036-30-0SMILES
O=C(O)C[C@H](C(=O)O)c1ccccc1InChIKey
LVFFZQQWIZURIO-QMMMGPOBSA-NInChI
InChI=1S/C10H10O4/c11-9(12)6-8(10(13)14)7-4-2-1-3-5-7/h1-5,8H,6H2,(H,11,12)(H,13,14)/t8-/m0/s1Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
9 names
- Butanedioic acid, 2-phenyl-, (2S)-
- Succinic acid, phenyl-, D-(+)-
- Butanedioic acid, phenyl-, (S)-
- Butanedioic acid, phenyl-, (2S)-
- (2S)-2-Phenylbutanedioic acid
- (S)-Phenylsuccinic acid
- (+)-2-Phenylsuccinic acid
- (S)-2-Phenylsuccinic acid
- (S)-(+)-Phenylsuccinic acid
Work with (+)-Phenylsuccinic acid
Stereoisomers, salts and isotopologues
The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.
Similar compounds
Tropic acid529-64-664 % similar
3-Phenylglutaric acid4165-96-263 % similar
Diphenylpropionic acid606-83-763 % similar
(+)-3-Amino-3-phenylpropanoic acid13921-90-962 % similar
(-)-3-Amino-3-phenylpropanoic acid40856-44-862 % similar
DL-β-Phenylalanine614-19-762 % similar
2-Phenylbutyric acid90-27-762 % similar
(-)-2-Phenylbutyric acid938-79-462 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.