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Home > Nitro Compounds > 91134-62-2
91134-62-2 | 1-(4,5-Dimethoxy-2-nitro-phenyl)-propan-1-one
CAS No: 91134-62-2 Catalog No: AG01EZ0F MDL No:
Product Description
Catalog Number:
AG01EZ0F
Chemical Name:
1-(4,5-Dimethoxy-2-nitro-phenyl)-propan-1-one
CAS Number:
91134-62-2
Molecular Formula:
C11H13NO5
Molecular Weight:
239.2246
IUPAC Name:
1-(4,5-dimethoxy-2-nitrophenyl)propan-1-one
InChI:
InChI=1S/C11H13NO5/c1-4-9(13)7-5-10(16-2)11(17-3)6-8(7)12(14)15/h5-6H,4H2,1-3H3
InChI Key:
PSNUJWYZXLDDHS-UHFFFAOYSA-N
SMILES:
CCC(=O)c1cc(OC)c(cc1[N+](=O)[O-])OC
Properties
Complexity:
288
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
239.079g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
239.227g/mol
Monoisotopic Mass:
239.079g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
81.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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