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Home > Nitro Compounds > 88369-10-2
88369-10-2 | 2H-1-Benzopyran-2-one, 4-(acetyloxy)-3-nitro-
CAS No: 88369-10-2 Catalog No: AG004MCW MDL No:
Product Description
Catalog Number:
AG004MCW
Chemical Name:
2H-1-Benzopyran-2-one, 4-(acetyloxy)-3-nitro-
CAS Number:
88369-10-2
Molecular Formula:
C11H7NO6
Molecular Weight:
249.1764
IUPAC Name:
(3-nitro-2-oxochromen-4-yl) acetate
InChI:
InChI=1S/C11H7NO6/c1-6(13)17-10-7-4-2-3-5-8(7)18-11(14)9(10)12(15)16/h2-5H,1H3
InChI Key:
HFRMVDFLFHAHKN-UHFFFAOYSA-N
SMILES:
CC(=O)Oc1c([N+](=O)[O-])c(=O)oc2c1cccc2
Properties
Complexity:
435
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.027g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
249.178g/mol
Monoisotopic Mass:
249.027g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
98.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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