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259180-65-9 | 1-Piperidineacetonitrile, 4-oxo-
CAS No: 259180-65-9 Catalog No: AG002R15 MDL No:MFCD06657944
Product Description
Catalog Number:
AG002R15
Chemical Name:
1-Piperidineacetonitrile, 4-oxo-
CAS Number:
259180-65-9
Molecular Formula:
C7H10N2O
Molecular Weight:
138.1671
MDL Number:
MFCD06657944
IUPAC Name:
2-(4-oxopiperidin-1-yl)acetonitrile
InChI:
InChI=1S/C7H10N2O/c8-3-6-9-4-1-7(10)2-5-9/h1-2,4-6H2
InChI Key:
YTWDXILKGPTDNE-UHFFFAOYSA-N
SMILES:
N#CCN1CCC(=O)CC1
Properties
Complexity:
169
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
138.079g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
138.17g/mol
Monoisotopic Mass:
138.079g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
44.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.5
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