200,000+ products from a single source!
sales@angenechem.com
Home > Nitro Compounds > 87639-26-7
87639-26-7 | 3-Butenenitrile, 2-(acetyloxy)-4-(4-nitrophenyl)-
CAS No: 87639-26-7 Catalog No: AG004HV0 MDL No:
Product Description
Catalog Number:
AG004HV0
Chemical Name:
3-Butenenitrile, 2-(acetyloxy)-4-(4-nitrophenyl)-
CAS Number:
87639-26-7
Molecular Formula:
C12H10N2O4
Molecular Weight:
246.2188
IUPAC Name:
[1-cyano-3-(4-nitrophenyl)prop-2-enyl] acetate
InChI:
InChI=1S/C12H10N2O4/c1-9(15)18-12(8-13)7-4-10-2-5-11(6-3-10)14(16)17/h2-7,12H,1H3
InChI Key:
KYEGMSPGHDBJDG-UHFFFAOYSA-N
SMILES:
N#CC(OC(=O)C)C=Cc1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
383
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.064g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
246.222g/mol
Monoisotopic Mass:
246.064g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
95.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
XLogP3:
2.1
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.