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Home > Pyridines > 148258-04-2
148258-04-2 | 4-Pyridinecarbonitrile, 2,6-bis(hydroxymethyl)-
CAS No: 148258-04-2 Catalog No: AG001FK4 MDL No:
Product Description
Catalog Number:
AG001FK4
Chemical Name:
4-Pyridinecarbonitrile, 2,6-bis(hydroxymethyl)-
CAS Number:
148258-04-2
Molecular Formula:
C8H8N2O2
Molecular Weight:
164.1613
IUPAC Name:
2,6-bis(hydroxymethyl)pyridine-4-carbonitrile
InChI:
InChI=1S/C8H8N2O2/c9-3-6-1-7(4-11)10-8(2-6)5-12/h1-2,11-12H,4-5H2
InChI Key:
SMVDSDMXVMGFPO-UHFFFAOYSA-N
SMILES:
OCc1nc(CO)cc(c1)C#N
Properties
Complexity:
175
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
164.059g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
164.164g/mol
Monoisotopic Mass:
164.059g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
77.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.1
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