名称: 3-(2-chlorophenyl)prop-2-enoic acid
SMILES:
C1=CC=C(C(=C1)C=CC(=O)O)ClMolecular Processing
Molecular formula
C9H7ClO2
Molecular weight
182.61
Exact mass
182.0135
XLogP
2.44
TPSA
37.3
H-bond donors
1
H-bond acceptors
1
Rotatable bonds
2
Heavy atoms
12
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0
Molar refractivity
48.12
Supplementary Information
InChIKey: KJRRTHHNKJBVBO-UHFFFAOYSA-N
同義語
3-(2-chlorophenyl)acrylic acidMFCD000043723-(2-chlorophenyl)prop-2-enoic acid3-(2-chloro-phenyl)-acrylic acid2-chloro-cinnamic acidNCIOpen2_001688SCHEMBL322878orb1680100SCHEMBL1510053SCHEMBL29393232AAA93958STR03476AKOS025243241SY003739DB-0491253-(2-Chlorophenyl)propenoic acid;o-Chlorocinnamic acid
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