200,000+ products from a single source!
sales@angenechem.com
Home > Nitro Compounds > 78904-44-6
78904-44-6 | Benzene,1,3-dimethoxy-2-(2-nitro-1-propen-1-yl)-
CAS No: 78904-44-6 Catalog No: AG005OX6 MDL No:
Product Description
Catalog Number:
AG005OX6
Chemical Name:
Benzene,1,3-dimethoxy-2-(2-nitro-1-propen-1-yl)-
CAS Number:
78904-44-6
Molecular Formula:
C11H13NO4
Molecular Weight:
223.2252
IUPAC Name:
1,3-dimethoxy-2-[(E)-2-nitroprop-1-enyl]benzene
InChI:
InChI=1S/C11H13NO4/c1-8(12(13)14)7-9-10(15-2)5-4-6-11(9)16-3/h4-7H,1-3H3/b8-7+
InChI Key:
BTHUWEKTWWOHCT-BQYQJAHWSA-N
SMILES:
COc1cccc(c1C=C([N+](=O)[O-])C)OC
Properties
Complexity:
260
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
223.084g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
223.228g/mol
Monoisotopic Mass:
223.084g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
64.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.