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101327-98-4 | 3-Piperidinecarboxylic acid, 1-methyl-2-oxo-, methyl ester
CAS No: 101327-98-4 Catalog No: AG00048K MDL No:MFCD28101622
Product Description
Catalog Number:
AG00048K
Chemical Name:
3-Piperidinecarboxylic acid, 1-methyl-2-oxo-, methyl ester
CAS Number:
101327-98-4
Molecular Formula:
C8H13NO3
Molecular Weight:
171.1937
MDL Number:
MFCD28101622
IUPAC Name:
methyl 1-methyl-2-oxopiperidine-3-carboxylate
InChI:
InChI=1S/C8H13NO3/c1-9-5-3-4-6(7(9)10)8(11)12-2/h6H,3-5H2,1-2H3
InChI Key:
GFCZCYCTEGTOBA-UHFFFAOYSA-N
SMILES:
COC(=O)C1CCCN(C1=O)C
Properties
Complexity:
203
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
171.09g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
171.196g/mol
Monoisotopic Mass:
171.09g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
46.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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