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84589-38-8 | 3-Pyridinecarboxamide,6-(1-methylethyl)-(9CI)
CAS No: 84589-38-8 Catalog No: AG00GKJ4 MDL No:
Product Description
Catalog Number:
AG00GKJ4
Chemical Name:
3-Pyridinecarboxamide,6-(1-methylethyl)-(9CI)
CAS Number:
84589-38-8
Molecular Formula:
C9H12N2O
Molecular Weight:
164.2044
IUPAC Name:
6-propan-2-ylpyridine-3-carboxamide
InChI:
InChI=1S/C9H12N2O/c1-6(2)8-4-3-7(5-11-8)9(10)12/h3-6H,1-2H3,(H2,10,12)
InChI Key:
FDFFHYQARQYBBY-UHFFFAOYSA-N
SMILES:
CC(c1ccc(cn1)C(=O)N)C
Properties
Complexity:
168
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
164.095g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
164.208g/mol
Monoisotopic Mass:
164.095g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
56A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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