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88251-85-8 | 3-Pyridinecarbonitrile, 1,2-dihydro-6-(2-hydroxypropyl)-2-oxo-
CAS No: 88251-85-8 Catalog No: AG004AL3 MDL No:
Product Description
Catalog Number:
AG004AL3
Chemical Name:
3-Pyridinecarbonitrile, 1,2-dihydro-6-(2-hydroxypropyl)-2-oxo-
CAS Number:
88251-85-8
Molecular Formula:
C9H10N2O2
Molecular Weight:
178.1879
IUPAC Name:
6-(2-hydroxypropyl)-2-oxo-1H-pyridine-3-carbonitrile
InChI:
InChI=1S/C9H10N2O2/c1-6(12)4-8-3-2-7(5-10)9(13)11-8/h2-3,6,12H,4H2,1H3,(H,11,13)
InChI Key:
BZXWKIFFTYKZIA-UHFFFAOYSA-N
SMILES:
CC(Cc1ccc(c(=O)[nH]1)C#N)O
Properties
Complexity:
333
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.074g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
178.191g/mol
Monoisotopic Mass:
178.074g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
73.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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