4-Hydroxy-6-methylcoumarin

CAT: 0024-sc-226679Size: 1 gDry Ice: NoHazardous: No

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CAT#:0024-sc-226679Size:1 g

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CAS Number

13252-83-0

Chemical Information

4-Hydroxy-6-methylcoumarin

CAS Number	13252-83-0
PubChem CID	54686349
IUPAC Name	4-hydroxy-6-methylchromen-2-one
Molecular Formula	C10H8O3
Molecular Weight	176.17
XLogP	1.6
Topological Polar Surface Area	46.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Heavy Atom Count	13
Formal Charge	0
Complexity	257

SMILES

CC1=CC2=C(C=C1)OC(=O)C=C2O

InChI

InChI=1S/C10H8O3/c1-6-2-3-9-7(4-6)8(11)5-10(12)13-9/h2-5,11H,1H3

InChIKey

WIRGBZBGYNIZIB-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 13252-83-0

CID: 54686349

Formula: C10H8O3

MW: 176.17

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	176.17
XLogP3	1.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Exact Mass	176.047344113
Monoisotopic Mass	176.047344113
Topological Polar Surface Area	46.5 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	257
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
sc-233597	6-Hydroxy-4-methylcoumarin
sc-479924	6-Amino-7-hydroxy-4-methylcoumarin
sc-356896	4-Hydroxy-7-methylcoumarin
sc-291381A	6-Methoxy-4-methylcoumarin
sc-291381	6-Methoxy-4-methylcoumarin
sc-231623	3-Chloro-7-hydroxy-4-methylcoumarin
sc-356669	3-Benzyl-7-hydroxy-4-methylcoumarin
sc-231656	3-Cyano-7-hydroxy-4-methylcoumarin
sc-356669A	3-Benzyl-7-hydroxy-4-methylcoumarin
sc-233626	6-Methylcoumarin

Catalog	Name
C7072-100	6-Hydroxy-4-methylcoumarin
Fr12277-01	4-Hydroxy-6-methylcoumarin
269576-01	6-Chloro-7-hydroxy-4-methylcoumarin
233224-01	4-Hydroxy-6-methylcoumarin ≥97% (HPLC)