4-Methyl-6-Methoxycoumarin

CAT: 0127-BUP14118Size: 500 mgDry Ice: NoHazardous: No

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CAT#:0127-BUP14118Size:500 mg

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CAS Number

6295-35-8

Purity

=95%

Smiles

COc1ccc2oc(=O)cc(C)c2c1

Chemical Information

6-Methoxy-4-methylcoumarin

CAS Number	6295-35-8
PubChem CID	223821
IUPAC Name	6-methoxy-4-methylchromen-2-one
Molecular Formula	C11H10O3
Molecular Weight	190.19
XLogP	2.2
Topological Polar Surface Area	35.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Heavy Atom Count	14
Formal Charge	0
Complexity	270

SMILES

CC1=CC(=O)OC2=C1C=C(C=C2)OC

InChI

InChI=1S/C11H10O3/c1-7-5-11(12)14-10-4-3-8(13-2)6-9(7)10/h3-6H,1-2H3

InChIKey

KNGPIBWCWOQBEK-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 6295-35-8

CID: 223821

Formula: C11H10O3

MW: 190.19

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	190.19
XLogP3	2.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	190.062994177
Monoisotopic Mass	190.062994177
Topological Polar Surface Area	35.5 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	270
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
OR345582	4-Ethoxy-6-mEthoxycoumarin
OR351013-01	4-Hydroxy-6-methoxycoumarin
OR351063	3- (4'-Chlorophenyl) -6-methoxycoumarin
OR351295	3,6-Dimethyl-4-methoxycoumarin
OR351062	3- (4'-Bromophenyl) -6-methoxycoumarin
OR351037	3-Cyano-6-methoxycoumarin
OR351000-01	6-Hydroxy-7-methoxycoumarin
OR22352-01	7-Hydroxy-6-methoxycoumarin
OR61329-01	4-Hydroxy-7-methoxycoumarin
OR351248	4-Ethoxy-7-methoxycoumarin

Catalog	Name
MBS5786133	4-Methyl-6-MethoxyCoumarin
FM66883-01	6-Methoxycoumarin
FM66074	4-Methoxycoumarin
GTR19179564	6- (3-Methyl-2-oxobutyroyl) -7-methoxycoumarin
MBS5787979	6-(3-Methyl-2-oxobutyroyl)-7-methoxyCoumarin
TRC-M299265-100MG	5-Methyl-8-methoxycoumarin
TRC-H517345-25MG	6-Hydroxy-7-methoxycoumarin
M30914-01	7-Geranyloxy-6-methoxycoumarin
sc-288772	3- (4,6-Difluorotriazinyl) amino-7-methoxycoumarin
263243-01	4-Bromomethyl-7-methoxycoumarin