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823785-78-0 | 3-Piperidinecarboxylic acid, 6-methyl-2-oxo-1-(phenylmethyl)-
CAS No: 823785-78-0 Catalog No: AG0053GS MDL No:
Product Description
Catalog Number:
AG0053GS
Chemical Name:
3-Piperidinecarboxylic acid, 6-methyl-2-oxo-1-(phenylmethyl)-
CAS Number:
823785-78-0
Molecular Formula:
C14H17NO3
Molecular Weight:
247.2897
IUPAC Name:
1-benzyl-6-methyl-2-oxopiperidine-3-carboxylic acid
InChI:
InChI=1S/C14H17NO3/c1-10-7-8-12(14(17)18)13(16)15(10)9-11-5-3-2-4-6-11/h2-6,10,12H,7-9H2,1H3,(H,17,18)
InChI Key:
HCXXNBXBNKQIMN-UHFFFAOYSA-N
SMILES:
CC1CCC(C(=O)N1Cc1ccccc1)C(=O)O
Properties
Complexity:
323
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:
3
Topological Polar Surface Area:
57.6A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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