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Home > Pyridines > 1256785-79-1
1256785-79-1 | 4,5-dimethoxypyridine-2-carbonitrile
CAS No: 1256785-79-1 Catalog No: AG01AG3H MDL No:MFCD18255396
Product Description
Catalog Number:
AG01AG3H
Chemical Name:
4,5-dimethoxypyridine-2-carbonitrile
CAS Number:
1256785-79-1
Molecular Formula:
C8H8N2O2
Molecular Weight:
164.1613
MDL Number:
MFCD18255396
IUPAC Name:
4,5-dimethoxypyridine-2-carbonitrile
InChI:
InChI=1S/C8H8N2O2/c1-11-7-3-6(4-9)10-5-8(7)12-2/h3,5H,1-2H3
InChI Key:
PUBFHOOQVANHJL-UHFFFAOYSA-N
SMILES:
COc1cc(C#N)ncc1OC
Properties
Complexity:
187
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:
0
Isotope Atom Count:
0
Molecular Weight:
164.164g/mol
Monoisotopic Mass:
164.059g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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