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Home > Nitro Compounds > 23023-08-7
23023-08-7 | Benzene, 1,2-dimethoxy-4-(2-nitro-1-buten-1-yl)-
CAS No: 23023-08-7 Catalog No: AG002LW3 MDL No:
Product Description
Catalog Number:
AG002LW3
Chemical Name:
Benzene, 1,2-dimethoxy-4-(2-nitro-1-buten-1-yl)-
CAS Number:
23023-08-7
Molecular Formula:
C12H15NO4
Molecular Weight:
237.2518
IUPAC Name:
1,2-dimethoxy-4-(2-nitrobut-1-enyl)benzene
InChI:
InChI=1S/C12H15NO4/c1-4-10(13(14)15)7-9-5-6-11(16-2)12(8-9)17-3/h5-8H,4H2,1-3H3
InChI Key:
NRBCNHBQBWHAJU-UHFFFAOYSA-N
SMILES:
CCC(=Cc1ccc(c(c1)OC)OC)[N+](=O)[O-]
Properties
Complexity:
285
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
237.1g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
237.255g/mol
Monoisotopic Mass:
237.1g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
64.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.9
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