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Home > Nitro Compounds > 98300-40-4
98300-40-4 | Ethanone, 1-(2,3-dimethoxy-6-nitrophenyl)-
CAS No: 98300-40-4 Catalog No: AG00IK2E MDL No:
Product Description
Catalog Number:
AG00IK2E
Chemical Name:
Ethanone, 1-(2,3-dimethoxy-6-nitrophenyl)-
CAS Number:
98300-40-4
Molecular Formula:
C10H11NO5
Molecular Weight:
225.1980
IUPAC Name:
1-(2,3-dimethoxy-6-nitrophenyl)ethanone
InChI:
InChI=1S/C10H11NO5/c1-6(12)9-7(11(13)14)4-5-8(15-2)10(9)16-3/h4-5H,1-3H3
InChI Key:
JTYVOUDOGJPFSJ-UHFFFAOYSA-N
SMILES:
COc1ccc(c(c1OC)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:
1.5
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