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Home > Nitro Compounds > 102652-89-1
102652-89-1 | Ethanone, 1-(3,5-dimethoxy-2-nitrophenyl)-
CAS No: 102652-89-1 Catalog No: AG000819 MDL No:
Product Description
Catalog Number:
AG000819
Chemical Name:
Ethanone, 1-(3,5-dimethoxy-2-nitrophenyl)-
CAS Number:
102652-89-1
Molecular Formula:
C10H11NO5
Molecular Weight:
225.1980
IUPAC Name:
1-(3,5-dimethoxy-2-nitrophenyl)ethanone
InChI:
InChI=1S/C10H11NO5/c1-6(12)8-4-7(15-2)5-9(16-3)10(8)11(13)14/h4-5H,1-3H3
InChI Key:
AWUSWXTYPLNZLP-UHFFFAOYSA-N
SMILES:
COc1cc(OC)c(c(c1)C(=O)C)[N+](=O)[O-]
Properties
Complexity:
275
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.064g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
225.2g/mol
Monoisotopic Mass:
225.064g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
81.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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