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Home > Nitro Compounds > 857565-71-0
857565-71-0 | 1-(3,4-Dimethoxy-2-nitrophenyl)ethanone
CAS No: 857565-71-0 Catalog No: AG004RZ9 MDL No:MFCD21090421
Product Description
Catalog Number:
AG004RZ9
Chemical Name:
1-(3,4-Dimethoxy-2-nitrophenyl)ethanone
CAS Number:
857565-71-0
Molecular Formula:
C10H11NO5
Molecular Weight:
225.1980
MDL Number:
MFCD21090421
IUPAC Name:
1-(3,4-dimethoxy-2-nitrophenyl)ethanone
InChI:
InChI=1S/C10H11NO5/c1-6(12)7-4-5-8(15-2)10(16-3)9(7)11(13)14/h4-5H,1-3H3
InChI Key:
SLMBURGYPGSXJL-UHFFFAOYSA-N
SMILES:
COc1ccc(c(c1OC)[N+](=O)[O-])C(=O)C
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:
1.5
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