CAS: 1821-12-1
이름: 4-phenylbutanoic acid
SMILES:
C1=CC=C(C=C1)CCCC(=O)OMolecular Processing
Molecular formula
C10H12O2
Molecular weight
164.2
Exact mass
164.0837
XLogP
2.09
TPSA
37.3
H-bond donors
1
H-bond acceptors
1
Rotatable bonds
4
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
0.3
Molar refractivity
47.02
Supplementary Information
InChIKey: OBKXEAXTFZPCHS-UHFFFAOYSA-N
동의어
4-PHENYLBUTYRIC ACID4-Phenylbutanoic acid1821-12-1Benzenebutanoic acidBenzenebutyric acidPhenylbutyric acidgamma-Phenylbutyric acidomega-Phenylbutanoic acid4-Phenyl-n-butyric acidomega-phenylbutyric acidCHEBI:41500gamma-Phenyl-n-butyric acid7WY7YBI87ENSC-295NSC295DTXSID2037631RefChem:55852DTXCID0017631217-341-8PhenylbutyrateButyric acid, 4-phenyl-1-Phenylbutyric acid4-PHENYL-BUTANOIC ACIDGAMMA-PHENYL-BUTYRIC ACIDMFCD000044034-Phenyl-butyric acidgamma-Phenylbutanoic acidPHENYLBUTANOIC ACID.gamma.-Phenylbutyric acid.omega.-Phenylbutanoic acid
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