chempirical

(+)-Phenylsuccinic acid

C10H10O4CAS 4036-30-0194.19 g/mol

Open in Covalent MOL file
OHOOOH
AlcoholCarboxylic 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

Identifiers

CAS number
4036-30-0
SMILES
O=C(O)C[C@H](C(=O)O)c1ccccc1
InChIKey
LVFFZQQWIZURIO-QMMMGPOBSA-N
InChI
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/s1

Weigh 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

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

Same formula

1,3-Dihydroxybenzene diacetate108-58-7 Ferulic acid1135-24-6 1,4-Diacetoxybenzene1205-91-0 Dimethyl terephthalate120-61-6 Dimethyl phthalate131-11-3 Dimethyl isophthalate1459-93-4 Methyl 5-acetylsalicylate16475-90-4 Kakuol18607-90-4

Elsewhere

PubChem CAS Common Chemistry NIST WebBook