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162648-37-5 | 2-Piperidinecarboxylic acid, 1-benzoyl-2-methyl-
CAS No: 162648-37-5 Catalog No: AG00B9L4 MDL No:MFCD18815744
Product Description
Catalog Number:
AG00B9L4
Chemical Name:
2-Piperidinecarboxylic acid, 1-benzoyl-2-methyl-
CAS Number:
162648-37-5
Molecular Formula:
C14H17NO3
Molecular Weight:
247.2897
MDL Number:
MFCD18815744
IUPAC Name:
1-benzoyl-2-methylpiperidine-2-carboxylic acid
InChI:
InChI=1S/C14H17NO3/c1-14(13(17)18)9-5-6-10-15(14)12(16)11-7-3-2-4-8-11/h2-4,7-8H,5-6,9-10H2,1H3,(H,17,18)
InChI Key:
OFNWTLAASXRJGP-UHFFFAOYSA-N
SMILES:
OC(=O)C1(C)CCCCN1C(=O)c1ccccc1
Properties
Complexity:
336
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:
1
Isotope Atom Count:
0
Molecular Weight:
247.294g/mol
Monoisotopic Mass:
247.121g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
57.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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