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168162-28-5 | Benzoic acid, 3-(2-oxo-1-piperidinyl)-, methyl ester
CAS No: 168162-28-5 Catalog No: AG001XVP MDL No:
Product Description
Catalog Number:
AG001XVP
Chemical Name:
Benzoic acid, 3-(2-oxo-1-piperidinyl)-, methyl ester
CAS Number:
168162-28-5
Molecular Formula:
C13H15NO3
Molecular Weight:
233.2631
IUPAC Name:
methyl 3-(2-oxopiperidin-1-yl)benzoate
InChI:
InChI=1S/C13H15NO3/c1-17-13(16)10-5-4-6-11(9-10)14-8-3-2-7-12(14)15/h4-6,9H,2-3,7-8H2,1H3
InChI Key:
WBIOFNUPQLMBOK-UHFFFAOYSA-N
SMILES:
COC(=O)c1cccc(c1)N1CCCCC1=O
Properties
Complexity:
303
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.105g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
233.267g/mol
Monoisotopic Mass:
233.105g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
46.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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