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1010115-47-5 | 1-Piperidinecarboxylic acid, 3-methyl-4-oxo-, phenylmethyl ester
CAS No: 1010115-47-5 Catalog No: AG0003J2 MDL No:MFCD11848402
Product Description
Catalog Number:
AG0003J2
Chemical Name:
1-Piperidinecarboxylic acid, 3-methyl-4-oxo-, phenylmethyl ester
CAS Number:
1010115-47-5
Molecular Formula:
C14H17NO3
Molecular Weight:
247.2897
MDL Number:
MFCD11848402
IUPAC Name:
benzyl 3-methyl-4-oxopiperidine-1-carboxylate
InChI:
InChI=1S/C14H17NO3/c1-11-9-15(8-7-13(11)16)14(17)18-10-12-5-3-2-4-6-12/h2-6,11H,7-10H2,1H3
InChI Key:
BKCUJRUBSQTDSQ-UHFFFAOYSA-N
SMILES:
O=C1CCN(CC1C)C(=O)OCc1ccccc1
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:
3
Topological Polar Surface Area:
46.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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