CAS: 168162-28-5
名称: methyl 3-(2-oxopiperidin-1-yl)benzoate
SMILES:
COC(=O)C1=CC(=CC=C1)N2CCCCC2=OMolecular Processing
Molecular formula
C13H15NO3
Molecular weight
233.27
Exact mass
233.1052
XLogP
1.99
TPSA
46.61
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
17
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.385
Molar refractivity
63.99
Supplementary Information
InChIKey: WBIOFNUPQLMBOK-UHFFFAOYSA-N
同義語
Methyl 3-(2-oxopiperidin-1-yl)benzoate168162-28-53-(2-OXO-PIPERIDIN-1-YL)-BENZOIC ACID METHYL ESTER3-(2-oxo-piperidin-1-yl)benzoic acid methyl esterSCHEMBL8549075DTXSID50443448WBIOFNUPQLMBOK-UHFFFAOYSA-NAKOS015911105Methyl 3-(2-oxo-1-piperidinyl)benzoateDA-32880
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