CAS: 3984-34-7
이름: 4-(4-chlorophenyl)-4-oxobutanoic acid
SMILES:
C1=CC(=CC=C1C(=O)CCC(=O)O)ClMolecular Processing
Molecular formula
C10H9ClO3
Molecular weight
212.63
Exact mass
212.024
XLogP
2.39
TPSA
54.37
H-bond donors
1
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
52.65
Supplementary Information
InChIKey: AHVASTJJVAYFPY-UHFFFAOYSA-N
동의어
3-(4-Chlorobenzoyl)propionic acid3984-34-7AI3-07203NSC 5137EINECS 223-627-3Benzenebutanoic acid, 4-chloro-gamma-oxo-DTXSID30192902beta-(p-Chlorobenzoyl)propionic acid.beta.-[p-Chlorobenzoyl]propionic acidBenzenebutanoic acid, 4-chloro-.gamma.-oxo-RefChem:92406DTXCID30115393223-627-3AHVASTJJVAYFPY-UHFFFAOYSA-NInChI=1/C10H9ClO3/c11-8-3-1-7(2-4-8)9(12)5-6-10(13)14/h1-4H,5-6H2,(H,13,144-(4-Chlorophenyl)-4-oxobutanoic acidMFCD00002794NSC51373-(4-chlorobenzoyl)Propanoic acidNSC-51374-(4-Chloro-phenyl)-4-oxo-butyric acid3-(P-CHLOROBENZOYL)PROPIONIC ACID4-(4-Chlorophenyl)-4-oxobutanoic Acid (3-(4-Chlorobenzoyl)propionic Acid)Fenbufen Impurity 84-(4-chlorophenyl)-4-oxobutyric acid4-Oxo-4-(4-chlorophenyl)butanoic acidMaybridge1_006214DBX7DG4X3PNCIStruc1_000312NCIStruc2_000239
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