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Home > Nitro Compounds > 89763-55-3
89763-55-3 | Benzene, 4-ethoxy-2-methyl-1-(2-nitro-1-butenyl)-
CAS No: 89763-55-3 Catalog No: AG0040PL MDL No:
Product Description
Catalog Number:
AG0040PL
Chemical Name:
Benzene, 4-ethoxy-2-methyl-1-(2-nitro-1-butenyl)-
CAS Number:
89763-55-3
Molecular Formula:
C13H17NO3
Molecular Weight:
235.2790
IUPAC Name:
4-ethoxy-2-methyl-1-(2-nitrobut-1-enyl)benzene
InChI:
InChI=1S/C13H17NO3/c1-4-12(14(15)16)9-11-6-7-13(17-5-2)8-10(11)3/h6-9H,4-5H2,1-3H3
InChI Key:
HVRTZHUYRFVLJO-UHFFFAOYSA-N
SMILES:
CCOc1ccc(c(c1)C)C=C([N+](=O)[O-])CC
Properties
Complexity:
283
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.121g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
235.283g/mol
Monoisotopic Mass:
235.121g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
55A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.7
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