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6,7-Dihydroxycoumeranone

CAT: 0024-sc-337259Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0024-sc-337259Size:100 mg
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CAS Number
6272-27-1

Chemical Information

6,7-Dihydroxycoumaranone
CAS Number6272-27-1
PubChem CID80458
IUPAC Name6,7-dihydroxy-1-benzofuran-3-one
Molecular FormulaC8H6O4
Molecular Weight166.13
XLogP0.8
Topological Polar Surface Area66.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count0
Heavy Atom Count12
Formal Charge0
Complexity203
SMILES
C1C(=O)C2=C(O1)C(=C(C=C2)O)O
InChI
InChI=1S/C8H6O4/c9-5-2-1-4-6(10)3-12-8(4)7(5)11/h1-2,9,11H,3H2
InChIKey
ZDHCVQNIRWDINX-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 6,7-Dihydroxycoumaranone
CAS: 6272-27-1
CID: 80458
Formula: C8H6O4
MW: 166.13
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight166.13
XLogP30.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count0
Exact Mass166.02660867
Monoisotopic Mass166.02660867
Topological Polar Surface Area66.8 Ų
Heavy Atom Count12
Formal Charge0
Complexity203
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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