C1=CC=C(C=C1)CC(C(=O)O)C(=O)O
CAS: 616-75-1
Name: 2-benzylpropanedioic acid
SMILES: C1=CC=C(C=C1)CC(C(=O)O)C(=O)O

Molecular Processing

Molecular formula
C10H10O4
Molecular weight
194.19
Exact mass
194.0579
XLogP
1.01
TPSA
74.6
H-bond donors
2
H-bond acceptors
2
Rotatable bonds
4
Heavy atoms
14
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.2
Molar refractivity
48.91

Supplementary Information

InChIKey: JAEJSNFTJMYIEF-UHFFFAOYSA-N
Synonyms
Benzylmalonic acid616-75-12-BenzylmalonatePropanedioic acid, (phenylmethyl)-MALONIC ACID, BENZYL-1,1-Ethanedicarboxylic acid, 2-phenyl-9BJY4TT4MHAI3-23865NSC-8068DTXSID00210607RefChem:566973DTXCID90133098210-491-52-Benzylmalonic acid2-benzylpropanedioic acidBenzomalonate acidUSAF XR-36Malonic acid, 2-benzyl-MFCD00004261NSC 8068benzylpropanedioic acidCHEMBL37998912-(phenylmethyl)propanedioic acidEINECS 210-491-5BRN 0643530Benzlmalonic acidbenzyl malonic acid2-(Phenylmethyl)propanedioic Acid; 2-Phenyl-1,1-ethanedicarboxylic Acid; 2-Benzylmalonic Acid; NSC 8068;2-benzyl-malonic acidRacecadotril Impurity L
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Involved in 14 reactions→

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