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Home > Nitro Compounds > 1260862-31-4
1260862-31-4 | Ethanone, 1-[4-(acetyloxy)-3-methoxy-2-nitrophenyl]-
CAS No: 1260862-31-4 Catalog No: AG000RGO MDL No:
Product Description
Catalog Number:
AG000RGO
Chemical Name:
Ethanone, 1-[4-(acetyloxy)-3-methoxy-2-nitrophenyl]-
CAS Number:
1260862-31-4
Molecular Formula:
C11H11NO6
Molecular Weight:
253.2081
IUPAC Name:
(4-acetyl-2-methoxy-3-nitrophenyl) acetate
InChI:
InChI=1S/C11H11NO6/c1-6(13)8-4-5-9(18-7(2)14)11(17-3)10(8)12(15)16/h4-5H,1-3H3
InChI Key:
GZBSZZNAYCTRNV-UHFFFAOYSA-N
SMILES:
COc1c(ccc(c1[N+](=O)[O-])C(=O)C)OC(=O)C
Properties
Complexity:
350
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.059g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
253.21g/mol
Monoisotopic Mass:
253.059g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
98.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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