C=C(CC1=CC=CC=C1)C(=O)O
CAS: 5669-19-2
Name: 2-benzylprop-2-enoic acid
SMILES: C=C(CC1=CC=CC=C1)C(=O)O

Molecular Processing

Molecular formula
C10H10O2
Molecular weight
162.19
Exact mass
162.0681
XLogP
1.87
TPSA
37.3
H-bond donors
1
H-bond acceptors
1
Rotatable bonds
3
Heavy atoms
12
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.1
Molar refractivity
46.92

Supplementary Information

InChIKey: RYNDYESLUKWOEE-UHFFFAOYSA-N
Synonyms
2-Benzylacrylic Acid5669-19-22-benzylprop-2-enoic acid2-methylene-3-phenylpropanoic AcidEWV0S2AX5BNSC-192640UNII-EWV0S2AX5BRacecadotril impurity E [EP]DTXSID60972138Benzenepropanoic acid, alpha-methylene-RACECADOTRIL IMPURITY E [EP IMPURITY]BENZENEPROPANOIC ACID, .ALPHA.-METHYLENE-RACECADOTRIL IMPURITY E (EP IMPURITY)Racecadotril Impurity ERefChem:85584DTXCID201399620438-550-2611-412-062479-28-1MFCD00854174Racecadotril EP impurity E2-Methylene-3-phenylpropionic AcidCHEMBL37996982-benzyl acrylic acid2-BENZYLACRYLICACIDbenzyl acrylic acidalpha-Benzylacrylic acid2-Benzylprop-2-enoic Acid (2-Benzylacrylic Acid)benzylacrylic acida-Benzylacrylic acid
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Involved in 52 reactions→

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