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Home > Nitro Compounds > 89556-68-3
89556-68-3 | Benzene, 1,4-dimethoxy-2-(1-methylpropyl)-5-(2-nitro-1-propenyl)-
CAS No: 89556-68-3 Catalog No: AG003YCM MDL No:
Product Description
Catalog Number:
AG003YCM
Chemical Name:
Benzene, 1,4-dimethoxy-2-(1-methylpropyl)-5-(2-nitro-1-propenyl)-
CAS Number:
89556-68-3
Molecular Formula:
C15H21NO4
Molecular Weight:
279.3315
IUPAC Name:
1-butan-2-yl-2,5-dimethoxy-4-(2-nitroprop-1-enyl)benzene
InChI:
InChI=1S/C15H21NO4/c1-6-10(2)13-9-14(19-4)12(8-15(13)20-5)7-11(3)16(17)18/h7-10H,6H2,1-5H3
InChI Key:
GBOOFQUHWKYFHG-UHFFFAOYSA-N
SMILES:
CCC(c1cc(OC)c(cc1OC)C=C([N+](=O)[O-])C)C
Properties
Complexity:
350
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
279.147g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
279.336g/mol
Monoisotopic Mass:
279.147g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
64.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
XLogP3:
4.2
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