7,8-Dimethoxycoumarin

CAT: 0127-OR351243Size: 1 EachDry Ice: NoHazardous: No

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CAS Number

2445-80-9

MDL Number

MFCD03412349

Purity

=95%

Smiles

COc1ccc2C=CC(=O)Oc2c1OC

Chemical Information

7,8-Dimethoxycoumarin

Daphnetin dimethyl ether has been reported in Citrus medica, Artemisia carvifolia, and other organisms with data available.

CAS Number	2445-80-9
PubChem CID	142768
IUPAC Name	7,8-dimethoxychromen-2-one
Molecular Formula	C11H10O4
Molecular Weight	206.19
XLogP	1.9
Topological Polar Surface Area	44.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Heavy Atom Count	15
Formal Charge	0
Complexity	274

SMILES

COC1=C(C2=C(C=C1)C=CC(=O)O2)OC

InChI

InChI=1S/C11H10O4/c1-13-8-5-3-7-4-6-9(12)15-10(7)11(8)14-2/h3-6H,1-2H3

InChIKey

CHBBSMUTOCUVDW-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2445-80-9

CID: 142768

Formula: C11H10O4

MW: 206.19

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	206.19
XLogP3	1.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	206.05790880
Monoisotopic Mass	206.05790880
Topological Polar Surface Area	44.8 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	274
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
OR351011	8-Acetyl-6,7-dimethoxycoumarin
OR345015-01	6,7-Dimethoxycoumarin
OR345352-01	5,7-Dimethoxycoumarin
OR9344-01	4- (Bromomethyl) -6,7-dimethoxycoumarin
PC1008591	2-Fluoro-7,7,8,8-tetracyanoquinodimethane
OR1101461-01	Tetrathiafulvalene - 7,7,8,8-Tetracyanoquinodimethane Complex
PC107869	8,8,8-Trifluoro-7- (trifluoromethyl) octan-1,7-diol
BICL2471-01	Nebivolol-5,5',7,7',8,8'-d6
PC1008593	2,5-Difluoro-7,7,8,8-tetracyanoquinodimethane
OR1079041-01	2,5-Dimethyl-7,7,8,8-tetracyanoquinodimethane

Catalog	Name
GTR19165317-01	7,8-Dimethoxycoumarin
T131479-01	7-Hydroxy-5,8-dimethoxycoumarin
379436	8-Geranyloxy-5,7-dimethoxycoumarin
TRC-D473703-100MG	5,7-Dimethoxycoumarin
FM66262-01	4-Methyl-5,7-dimethoxycoumarin
HY-W269179-01	4-Bromomethyl-6,7-dimethoxycoumarin
B2860-64	4- (Bromomethyl) -6,7-dimethoxycoumarin
MBS654112-01	4-(Aminomethyl)-6,7-dimethoxycoumarin
TRC-B685350-100MG	4-(Bromomethyl)-6,7-dimethoxycoumarin
TRC-B895625-50MG	7-(Benzyloxy)-5,6-dimethoxycoumarin