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Home Carboxys 4H-1-Benzopyran-2-carboxylicacid, 7-hydroxy-4-oxo-

4H-1-Benzopyran-2-carboxylicacid, 7-hydroxy-4-oxo-

CAS No.:
30113-83-8
Catalog Number:
AG007JII
Molecular Formula:
C10H6O5
Molecular Weight:
206.1516
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Product Description
Catalog Number:
AG007JII
Chemical Name:
4H-1-Benzopyran-2-carboxylicacid, 7-hydroxy-4-oxo-
CAS Number:
30113-83-8
Molecular Formula:
C10H6O5
Molecular Weight:
206.1516
MDL Number:
MFCD00448913
IUPAC Name:
7-hydroxy-4-oxochromene-2-carboxylic acid
InChI:
InChI=1S/C10H6O5/c11-5-1-2-6-7(12)4-9(10(13)14)15-8(6)3-5/h1-4,11H,(H,13,14)
InChI Key:
QLJYPGSMODXQON-UHFFFAOYSA-N
SMILES:
Oc1ccc2c(c1)oc(cc2=O)C(=O)O
Properties
Complexity:
333  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
206.022g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
206.153g/mol
Monoisotopic Mass:
206.022g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
83.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  
Literature
Title Journal
Flavones are inhibitors of HIV-1 proteinase. Biochemical and biophysical research communications 19921030
Aldose reductase inhibitors: a potential new class of agents for the pharmacological control of certain diabetic complications. Journal of medicinal chemistry 19850701
Properties