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179536-08-4 | 4-Piperidinecarboxylic acid, 1-cyano-
CAS No: 179536-08-4 Catalog No: AG002726 MDL No:
Product Description
Catalog Number:
AG002726
Chemical Name:
4-Piperidinecarboxylic acid, 1-cyano-
CAS Number:
179536-08-4
Molecular Formula:
C7H10N2O2
Molecular Weight:
154.1665
IUPAC Name:
1-cyanopiperidine-4-carboxylic acid
InChI:
InChI=1S/C7H10N2O2/c8-5-9-3-1-6(2-4-9)7(10)11/h6H,1-4H2,(H,10,11)
InChI Key:
OETJLCOTIMOZDU-UHFFFAOYSA-N
SMILES:
N#CN1CCC(CC1)C(=O)O
Properties
Complexity:
198
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
154.074g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
154.169g/mol
Monoisotopic Mass:
154.074g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
64.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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