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Home > Nitro Compounds > 261527-27-9
261527-27-9 | 3-Pentanone, 1-(acetyloxy)-4-methyl-1-(4-nitrophenyl)-
CAS No: 261527-27-9 Catalog No: AG002RVG MDL No:
Product Description
Catalog Number:
AG002RVG
Chemical Name:
3-Pentanone, 1-(acetyloxy)-4-methyl-1-(4-nitrophenyl)-
CAS Number:
261527-27-9
Molecular Formula:
C14H17NO5
Molecular Weight:
279.2885
IUPAC Name:
[4-methyl-1-(4-nitrophenyl)-3-oxopentyl] acetate
InChI:
InChI=1S/C14H17NO5/c1-9(2)13(17)8-14(20-10(3)16)11-4-6-12(7-5-11)15(18)19/h4-7,9,14H,8H2,1-3H3
InChI Key:
OYYYWSAXQAQXMY-UHFFFAOYSA-N
SMILES:
CC(=O)OC(c1ccc(cc1)[N+](=O)[O-])CC(=O)C(C)C
Properties
Complexity:
366
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
279.111g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
279.292g/mol
Monoisotopic Mass:
279.111g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
89.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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