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7-Hydroxycoumarin

CAT: 1489-U8230-03Size: 100 gDry Ice: NoHazardous: No
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CAT#:1489-U8230-03Size:100 g
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CAS Number
93-35-6
Purity
0.98

Chemical Information

Umbelliferone

Umbelliferone is a hydroxycoumarin that is coumarin substituted by a hydroxy group ay position 7. It has a role as a fluorescent probe, a plant metabolite and a food component.

CAS Number93-35-6
PubChem CID5281426
IUPAC Name7-hydroxychromen-2-one
Molecular FormulaC9H6O3
Molecular Weight162.14
XLogP1.6
Topological Polar Surface Area46.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Heavy Atom Count12
Formal Charge0
Complexity222
SMILES
C1=CC(=CC2=C1C=CC(=O)O2)O
InChI
InChI=1S/C9H6O3/c10-7-3-1-6-2-4-9(11)12-8(6)5-7/h1-5,10H
InChIKey
ORHBXUUXSCNDEV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Umbelliferone
CAS: 93-35-6
CID: 5281426
Formula: C9H6O3
MW: 162.14
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight162.14
XLogP31.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Exact Mass162.031694049
Monoisotopic Mass162.031694049
Topological Polar Surface Area46.5 Ų
Heavy Atom Count12
Formal Charge0
Complexity222
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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CatalogName
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