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1000512-48-0 | 2-Pyridineacetonitrile, 6-methoxy-
CAS No: 1000512-48-0 Catalog No: AG0000O0 MDL No:MFCD09923742
Product Description
Catalog Number:
AG0000O0
Chemical Name:
2-Pyridineacetonitrile, 6-methoxy-
CAS Number:
1000512-48-0
Molecular Formula:
C8H8N2O
Molecular Weight:
148.1619
MDL Number:
MFCD09923742
IUPAC Name:
2-(6-methoxypyridin-2-yl)acetonitrile
InChI:
InChI=1S/C8H8N2O/c1-11-8-4-2-3-7(10-8)5-6-9/h2-4H,5H2,1H3
InChI Key:
XNYIRHWBNGDYPU-UHFFFAOYSA-N
SMILES:
N#CCc1cccc(n1)OC
Properties
Complexity:
161
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
148.064g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
148.165g/mol
Monoisotopic Mass:
148.064g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
45.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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