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Home > Nitro Compounds > 1260785-45-2
1260785-45-2 | Ethanone, 1-(4-hydroxy-3-methoxy-2-nitrophenyl)-
CAS No: 1260785-45-2 Catalog No: AG000R8H MDL No:
Product Description
Catalog Number:
AG000R8H
Chemical Name:
Ethanone, 1-(4-hydroxy-3-methoxy-2-nitrophenyl)-
CAS Number:
1260785-45-2
Molecular Formula:
C9H9NO5
Molecular Weight:
211.1715
IUPAC Name:
1-(4-hydroxy-3-methoxy-2-nitrophenyl)ethanone
InChI:
InChI=1S/C9H9NO5/c1-5(11)6-3-4-7(12)9(15-2)8(6)10(13)14/h3-4,12H,1-2H3
InChI Key:
ZOMXLWJRXFETOW-UHFFFAOYSA-N
SMILES:
COc1c(O)ccc(c1[N+](=O)[O-])C(=O)C
Properties
Complexity:
262
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
211.048g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
211.173g/mol
Monoisotopic Mass:
211.048g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
92.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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