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Home > Pyridines > 182054-69-9
182054-69-9 | 3-Pyridinecarbonitrile, 2-(hydroxymethyl)-
CAS No: 182054-69-9 Catalog No: AG0023BA MDL No:MFCD11100745
Product Description
Catalog Number:
AG0023BA
Chemical Name:
3-Pyridinecarbonitrile, 2-(hydroxymethyl)-
CAS Number:
182054-69-9
Molecular Formula:
C7H6N2O
Molecular Weight:
134.1353
MDL Number:
MFCD11100745
IUPAC Name:
2-(hydroxymethyl)pyridine-3-carbonitrile
InChI:
InChI=1S/C7H6N2O/c8-4-6-2-1-3-9-7(6)5-10/h1-3,10H,5H2
InChI Key:
WKERUWSCAVHYBQ-UHFFFAOYSA-N
SMILES:
OCc1ncccc1C#N
Properties
Complexity:
149
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
134.048g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
134.138g/mol
Monoisotopic Mass:
134.048g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
56.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3
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