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Home > Nitro Compounds > 87997-44-2
87997-44-2 | 2H-1-Benzopyran-2-one, 7-hydroxy-8-nitro-
CAS No: 87997-44-2 Catalog No: AG004KO4 MDL No:
Product Description
Catalog Number:
AG004KO4
Chemical Name:
2H-1-Benzopyran-2-one, 7-hydroxy-8-nitro-
CAS Number:
87997-44-2
Molecular Formula:
C9H5NO5
Molecular Weight:
207.1397
IUPAC Name:
7-hydroxy-8-nitrochromen-2-one
InChI:
InChI=1S/C9H5NO5/c11-6-3-1-5-2-4-7(12)15-9(5)8(6)10(13)14/h1-4,11H
InChI Key:
FDNPBKXFZNKRFY-UHFFFAOYSA-N
SMILES:
O=c1ccc2c(o1)c([N+](=O)[O-])c(cc2)O
Properties
Complexity:
321
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
207.017g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
207.141g/mol
Monoisotopic Mass:
207.017g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
92.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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