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5,7-Dihydroxycoumarin

CAT: 0127-OR925694-01Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0127-OR925694-01Size:250 mg
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CAS Number
2732-18-5
MDL Number
MFCD00488354
Purity
98%
Smiles
Oc1cc(O)c2C=CC(=O)Oc2c1

Chemical Information

2H-1-Benzopyran-2-one, 5,7-dihydroxy-

5,7-Dihydroxycoumarin has been reported in Haplophyllum dauricum, Murraya siamensis, and other organisms with data available.

CAS Number2732-18-5
PubChem CID5324654
IUPAC Name5,7-dihydroxychromen-2-one
Molecular FormulaC9H6O4
Molecular Weight178.14
XLogP1.2
Topological Polar Surface Area66.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count0
Heavy Atom Count13
Formal Charge0
Complexity248
SMILES
C1=CC(=O)OC2=CC(=CC(=C21)O)O
InChI
InChI=1S/C9H6O4/c10-5-3-7(11)6-1-2-9(12)13-8(6)4-5/h1-4,10-11H
InChIKey
KIQQFVJHWNCGAU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2H-1-Benzopyran-2-one, 5,7-dihydroxy-
CAS: 2732-18-5
CID: 5324654
Formula: C9H6O4
MW: 178.14
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight178.14
XLogP31.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count0
Exact Mass178.02660867
Monoisotopic Mass178.02660867
Topological Polar Surface Area66.8 Ų
Heavy Atom Count13
Formal Charge0
Complexity248
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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