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Home > Nitro Compounds > 75825-37-5
75825-37-5 | 2-Propenamide,2-cyano-3-(2-nitrophenyl)-
CAS No: 75825-37-5 Catalog No: AG0059YR MDL No:
Product Description
Catalog Number:
AG0059YR
Chemical Name:
2-Propenamide,2-cyano-3-(2-nitrophenyl)-
CAS Number:
75825-37-5
Molecular Formula:
C10H7N3O3
Molecular Weight:
217.1809
IUPAC Name:
(E)-2-cyano-3-(2-nitrophenyl)prop-2-enamide
InChI:
InChI=1S/C10H7N3O3/c11-6-8(10(12)14)5-7-3-1-2-4-9(7)13(15)16/h1-5H,(H2,12,14)/b8-5+
InChI Key:
YKEDYNCEMRNXKV-VMPITWQZSA-N
SMILES:
N#CC(=Cc1ccccc1[N+](=O)[O-])C(=O)N
Properties
Complexity:
375
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
217.049g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
217.184g/mol
Monoisotopic Mass:
217.049g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
113A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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