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1000932-09-1 | 4-Piperidinecarboxylic acid, 1-methyl-2-oxo-
CAS No: 1000932-09-1 Catalog No: AG0000VL MDL No:MFCD09863345
Product Description
Catalog Number:
AG0000VL
Chemical Name:
4-Piperidinecarboxylic acid, 1-methyl-2-oxo-
CAS Number:
1000932-09-1
Molecular Formula:
C7H11NO3
Molecular Weight:
157.1671
MDL Number:
MFCD09863345
IUPAC Name:
1-methyl-2-oxopiperidine-4-carboxylic acid
InChI:
InChI=1S/C7H11NO3/c1-8-3-2-5(7(10)11)4-6(8)9/h5H,2-4H2,1H3,(H,10,11)
InChI Key:
FQRTVGXATBBMPJ-UHFFFAOYSA-N
SMILES:
OC(=O)C1CCN(C(=O)C1)C
Properties
Complexity:
190
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
157.074g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
157.169g/mol
Monoisotopic Mass:
157.074g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
57.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.7
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