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40029-37-6 | (2E)-2-cyano-3-(pyridin-4-yl)prop-2-enamide
CAS No: 40029-37-6 Catalog No: AG00INVQ MDL No:MFCD00215244
Product Description
Catalog Number:
AG00INVQ
Chemical Name:
(2E)-2-cyano-3-(pyridin-4-yl)prop-2-enamide
CAS Number:
40029-37-6
Molecular Formula:
C9H7N3O
Molecular Weight:
173.1714
MDL Number:
MFCD00215244
IUPAC Name:
2-cyano-3-pyridin-4-ylprop-2-enamide
InChI:
InChI=1S/C9H7N3O/c10-6-8(9(11)13)5-7-1-3-12-4-2-7/h1-5H,(H2,11,13)
InChI Key:
OJUGYMUOPZHNKD-UHFFFAOYSA-N
SMILES:
N#C/C(=C\c1ccncc1)/C(=O)N
Properties
Complexity:
268
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
173.059g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
173.175g/mol
Monoisotopic Mass:
173.059g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
79.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
0.5
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