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52689-19-7 | 3-Pyridinecarbonitrile, 6-acetyl- (9CI)
CAS No: 52689-19-7 Catalog No: AG00E2KU MDL No:MFCD13189084
Product Description
Catalog Number:
AG00E2KU
Chemical Name:
3-Pyridinecarbonitrile, 6-acetyl- (9CI)
CAS Number:
52689-19-7
Molecular Formula:
C8H6N2O
Molecular Weight:
146.1460
MDL Number:
MFCD13189084
IUPAC Name:
6-acetylpyridine-3-carbonitrile
InChI:
InChI=1S/C8H6N2O/c1-6(11)8-3-2-7(4-9)5-10-8/h2-3,5H,1H3
InChI Key:
HLPONRCXYZPNFJ-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(nc1)C(=O)C
Properties
Complexity:
203
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
146.048g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
146.149g/mol
Monoisotopic Mass:
146.048g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
53.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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