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Home > Nitro Compounds > 719-89-1
719-89-1 | 1-(2,3-DIMETHOXYPHENYL)-2-NITROPROPENE
CAS No: 719-89-1 Catalog No: AG005O8G MDL No:
Product Description
Catalog Number:
AG005O8G
Chemical Name:
1-(2,3-DIMETHOXYPHENYL)-2-NITROPROPENE
CAS Number:
719-89-1
Molecular Formula:
C11H13NO4
Molecular Weight:
223.2252
IUPAC Name:
1,2-dimethoxy-3-(2-nitroprop-1-enyl)benzene
InChI:
InChI=1S/C11H13NO4/c1-8(12(13)14)7-9-5-4-6-10(15-2)11(9)16-3/h4-7H,1-3H3
InChI Key:
MMLNTSKEWFKJQF-UHFFFAOYSA-N
SMILES:
COc1c(cccc1OC)C=C([N+](=O)[O-])C
Properties
Complexity:
272
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
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:
1
XLogP3:
2.3
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