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Home > Nitro Compounds > 86969-37-1
86969-37-1 | Benzene,1-methyl-3-(2-nitro-1-propen-1-yl)-
CAS No: 86969-37-1 Catalog No: AG004O3L MDL No:
Product Description
Catalog Number:
AG004O3L
Chemical Name:
Benzene,1-methyl-3-(2-nitro-1-propen-1-yl)-
CAS Number:
86969-37-1
Molecular Formula:
C10H11NO2
Molecular Weight:
177.1998
IUPAC Name:
1-methyl-3-(2-nitroprop-1-enyl)benzene
InChI:
InChI=1S/C10H11NO2/c1-8-4-3-5-10(6-8)7-9(2)11(12)13/h3-7H,1-2H3
InChI Key:
SBEPUGJNPLSOKB-UHFFFAOYSA-N
SMILES:
Cc1cccc(c1)C=C([N+](=O)[O-])C
Properties
Complexity:
218
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
177.079g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
177.203g/mol
Monoisotopic Mass:
177.079g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.9
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