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Home > Nitro Compounds > 19063-58-2
19063-58-2 | 2H-1-Benzopyran-2-one, 7-nitro-
CAS No: 19063-58-2 Catalog No: AG002EPA MDL No:
Product Description
Catalog Number:
AG002EPA
Chemical Name:
2H-1-Benzopyran-2-one, 7-nitro-
CAS Number:
19063-58-2
Molecular Formula:
C9H5NO4
Molecular Weight:
191.1403
IUPAC Name:
7-nitrochromen-2-one
InChI:
InChI=1S/C9H5NO4/c11-9-4-2-6-1-3-7(10(12)13)5-8(6)14-9/h1-5H
InChI Key:
XSECDQPYFOEVPU-UHFFFAOYSA-N
SMILES:
O=c1ccc2c(o1)cc(cc2)[N+](=O)[O-]
Properties
Complexity:
294
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
191.022g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
191.142g/mol
Monoisotopic Mass:
191.022g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
72.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
Literature
| Title | Journal |
|---|---|
| Fluorogenic substrates for the detection of microbial nitroreductases. | Letters in applied microbiology 20011201 |
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