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6-Ethyl-4-hydroxycoumarin

CAT: 0024-sc-337190Size: 1 gDry Ice: NoHazardous: No
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CAT#:0024-sc-337190Size:1 g
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CAS Number
55005-28-2

Chemical Information

6-Ethyl-4-hydroxycoumarin
CAS Number55005-28-2
PubChem CID54684531
IUPAC Name6-ethyl-4-hydroxychromen-2-one
Molecular FormulaC11H10O3
Molecular Weight190.19
XLogP2.1
Topological Polar Surface Area46.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count14
Formal Charge0
Complexity270
SMILES
CCC1=CC2=C(C=C1)OC(=O)C=C2O
InChI
InChI=1S/C11H10O3/c1-2-7-3-4-10-8(5-7)9(12)6-11(13)14-10/h3-6,12H,2H2,1H3
InChIKey
JYULRNGSVREOJU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 6-Ethyl-4-hydroxycoumarin
CAS: 55005-28-2
CID: 54684531
Formula: C11H10O3
MW: 190.19
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight190.19
XLogP32.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass190.062994177
Monoisotopic Mass190.062994177
Topological Polar Surface Area46.5 Ų
Heavy Atom Count14
Formal Charge0
Complexity270
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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Alternative Products

CatalogName
275749-016-Ethyl-4-hydroxycoumarin
234683-016-Ethyl-4-hydroxycoumarin ≥97% (HPLC)
OR4521-01Ethyl 7-hydroxycoumarin-4-carboxylate
266160-016-Bromo-4-hydroxycoumarin
234703-016-Fluoro-4-hydroxycoumarin
OR351007-016-Chloro-4-hydroxycoumarin
FM12567-016-Methyl-4-hydroxycoumarin
TBW003186-Hydroxycoumarin

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