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88404-14-2 | 2-(6,7-Dihydroxy-2-oxo-2H-chromen-4-yl);acetic acid
CAS No: 88404-14-2 Catalog No: AG004L8G MDL No:
Product Description
Catalog Number:
AG004L8G
Chemical Name:
2-(6,7-Dihydroxy-2-oxo-2H-chromen-4-yl);acetic acid
CAS Number:
88404-14-2
Molecular Formula:
C11H8O6
Molecular Weight:
236.1776
IUPAC Name:
2-(6,7-dihydroxy-2-oxochromen-4-yl)acetic acid
InChI:
InChI=1S/C11H8O6/c12-7-3-6-5(1-10(14)15)2-11(16)17-9(6)4-8(7)13/h2-4,12-13H,1H2,(H,14,15)
InChI Key:
VZBNZFYHLQRFPS-UHFFFAOYSA-N
SMILES:
OC(=O)Cc1cc(=O)oc2c1cc(O)c(c2)O
Properties
Complexity:
374
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.032g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
236.179g/mol
Monoisotopic Mass:
236.032g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
Literature
| Title | Journal |
|---|---|
| 6,7-Dihydroxy-4-phenylcoumarin as inhibitor of aldose reductase 2. | Bioorganic & medicinal chemistry letters 20101001 |
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