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Home > Nitro Compounds > 89763-57-5
89763-57-5 | Benzene, 1,5-dimethoxy-2-(2-nitro-1-propenyl)-4-propyl-
CAS No: 89763-57-5 Catalog No: AG003ZQ1 MDL No:
Product Description
Catalog Number:
AG003ZQ1
Chemical Name:
Benzene, 1,5-dimethoxy-2-(2-nitro-1-propenyl)-4-propyl-
CAS Number:
89763-57-5
Molecular Formula:
C14H19NO4
Molecular Weight:
265.3050
IUPAC Name:
1,5-dimethoxy-2-(2-nitroprop-1-enyl)-4-propylbenzene
InChI:
InChI=1S/C14H19NO4/c1-5-6-11-8-12(7-10(2)15(16)17)14(19-4)9-13(11)18-3/h7-9H,5-6H2,1-4H3
InChI Key:
KZIGVQMUPVMREM-UHFFFAOYSA-N
SMILES:
CCCc1cc(C=C([N+](=O)[O-])C)c(cc1OC)OC
Properties
Complexity:
324
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
265.131g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
265.309g/mol
Monoisotopic Mass:
265.131g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
64.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.8
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