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Home > Nitro Compounds > 18873-35-3
18873-35-3 | 2-Propenenitrile, 3-(5-nitro-2-furanyl)-, (Z)- (9CI)
CAS No: 18873-35-3 Catalog No: AG002H8A MDL No:
Product Description
Catalog Number:
AG002H8A
Chemical Name:
2-Propenenitrile, 3-(5-nitro-2-furanyl)-, (Z)- (9CI)
CAS Number:
18873-35-3
Molecular Formula:
C7H4N2O3
Molecular Weight:
164.1183
IUPAC Name:
3-(5-nitrofuran-2-yl)prop-2-enenitrile
InChI:
InChI=1S/C7H4N2O3/c8-5-1-2-6-3-4-7(12-6)9(10)11/h1-4H
InChI Key:
WCPYCTGNBUHOOF-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(o1)/C=C\C#N
Properties
Complexity:
247
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
164.022g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
164.12g/mol
Monoisotopic Mass:
164.022g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
82.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.5
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