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5,7-Dimethoxycoumarin

CAT: 0127-OR345352-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0127-OR345352-01Size:100 mg
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CAS Number
487-06-9
MDL Number
MFCD00006870
Purity
97%
Smiles
COc1cc(OC)c2C=CC(=O)Oc2c1

Chemical Information

5,7-Dimethoxycoumarin

5,7-dimethoxy-1-benzopyran-2-one is a member of coumarins.

CAS Number487-06-9
PubChem CID2775
IUPAC Name5,7-dimethoxychromen-2-one
Molecular FormulaC11H10O4
Molecular Weight206.19
XLogP1.9
Topological Polar Surface Area44.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Heavy Atom Count15
Formal Charge0
Complexity274
SMILES
COC1=CC2=C(C=CC(=O)O2)C(=C1)OC
InChI
InChI=1S/C11H10O4/c1-13-7-5-9(14-2)8-3-4-11(12)15-10(8)6-7/h3-6H,1-2H3
InChIKey
NXJCRELRQHZBQA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5,7-Dimethoxycoumarin
CAS: 487-06-9
CID: 2775
Formula: C11H10O4
MW: 206.19
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight206.19
XLogP31.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass206.05790880
Monoisotopic Mass206.05790880
Topological Polar Surface Area44.8 Ų
Heavy Atom Count15
Formal Charge0
Complexity274
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
TRC-D473703-100MG5,7-Dimethoxycoumarin
FM66262-014-Methyl-5,7-dimethoxycoumarin
T131479-017-Hydroxy-5,8-dimethoxycoumarin
3794368-Geranyloxy-5,7-dimethoxycoumarin
TRC-B895625-50MG7-(Benzyloxy)-5,6-dimethoxycoumarin
GTR19165317-017,8-Dimethoxycoumarin
HY-W269179-014-Bromomethyl-6,7-dimethoxycoumarin
B2860-644- (Bromomethyl) -6,7-dimethoxycoumarin
TRC-B685350-100MG4-(Bromomethyl)-6,7-dimethoxycoumarin
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