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Home > Nitro Compounds > 88734-91-2
88734-91-2 | 4H-1-Benzothiopyran-4-one, 3-(acetyloxy)-2-nitro-
CAS No: 88734-91-2 Catalog No: AG0045IR MDL No:
Product Description
Catalog Number:
AG0045IR
Chemical Name:
4H-1-Benzothiopyran-4-one, 3-(acetyloxy)-2-nitro-
CAS Number:
88734-91-2
Molecular Formula:
C11H7NO5S
Molecular Weight:
265.2420
IUPAC Name:
(2-nitro-4-oxothiochromen-3-yl) acetate
InChI:
InChI=1S/C11H7NO5S/c1-6(13)17-10-9(14)7-4-2-3-5-8(7)18-11(10)12(15)16/h2-5H,1H3
InChI Key:
UNYGNYOAFAJLSI-UHFFFAOYSA-N
SMILES:
CC(=O)Oc1c(sc2c(c1=O)cccc2)[N+](=O)[O-]
Properties
Complexity:
439
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
265.004g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
265.239g/mol
Monoisotopic Mass:
265.004g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
115A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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