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156779-11-2 | 3-Piperidinecarboxylic acid, 6-oxo-1-(phenylmethyl)-, methyl ester
CAS No: 156779-11-2 Catalog No: AG001OZ1 MDL No:MFCD16883082
Product Description
Catalog Number:
AG001OZ1
Chemical Name:
3-Piperidinecarboxylic acid, 6-oxo-1-(phenylmethyl)-, methyl ester
CAS Number:
156779-11-2
Molecular Formula:
C14H17NO3
Molecular Weight:
247.2897
MDL Number:
MFCD16883082
IUPAC Name:
methyl 1-benzyl-6-oxopiperidine-3-carboxylate
InChI:
InChI=1S/C14H17NO3/c1-18-14(17)12-7-8-13(16)15(10-12)9-11-5-3-2-4-6-11/h2-6,12H,7-10H2,1H3
InChI Key:
JIANYAQFNMZKHH-UHFFFAOYSA-N
SMILES:
COC(=O)C1CCC(=O)N(C1)Cc1ccccc1
Properties
Complexity:
310
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.121g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
247.294g/mol
Monoisotopic Mass:
247.121g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
46.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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