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95654-15-2 | Pyridine, 4-[[(1-methylethyl)azo]carbonyl]-
CAS No: 95654-15-2 Catalog No: AG00H8LZ MDL No:
Product Description
Catalog Number:
AG00H8LZ
Chemical Name:
Pyridine, 4-[[(1-methylethyl)azo]carbonyl]-
CAS Number:
95654-15-2
Molecular Formula:
C9H11N3O
Molecular Weight:
177.2031
IUPAC Name:
N-propan-2-yliminopyridine-4-carboxamide
InChI:
InChI=1S/C9H11N3O/c1-7(2)11-12-9(13)8-3-5-10-6-4-8/h3-7H,1-2H3
InChI Key:
BNPCQXNWPYBOKR-UHFFFAOYSA-N
SMILES:
CC(N=NC(=O)c1ccncc1)C
Properties
Complexity:
195
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
177.09g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
177.207g/mol
Monoisotopic Mass:
177.09g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
54.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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