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Home > Nitro Compounds > 79172-35-3
79172-35-3 | Benzene, 1-(2-methoxyethenyl)-2-methyl-3-nitro-
CAS No: 79172-35-3 Catalog No: AG005376 MDL No:
Product Description
Catalog Number:
AG005376
Chemical Name:
Benzene, 1-(2-methoxyethenyl)-2-methyl-3-nitro-
CAS Number:
79172-35-3
Molecular Formula:
C10H11NO3
Molecular Weight:
193.1992
IUPAC Name:
1-(2-methoxyethenyl)-2-methyl-3-nitrobenzene
InChI:
InChI=1S/C10H11NO3/c1-8-9(6-7-14-2)4-3-5-10(8)11(12)13/h3-7H,1-2H3
InChI Key:
VWMMWWGERJDHJY-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cccc(c1C)C=COC
Properties
Complexity:
222
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
193.074g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
193.202g/mol
Monoisotopic Mass:
193.074g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
55A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.9
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