4-Hydroxy-7-methylcoumarin

CAT: 0127-OR13054-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0127-OR13054-01Size:250 mg

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CAS Number

18692-77-8

Synonyms

4-Hydroxy-7-methyl-2H-chromen-2-one, 4-Hydroxy-7-methyl-2-oxo-2H-chromene

MDL Number

MFCD03412316

Purity

95%

Smiles

Cc1ccc2C(=O)CC(=O)Oc2c1

Chemical Information

4-Hydroxy-7-methylcoumarin

CAS Number	18692-77-8
PubChem CID	54685307
IUPAC Name	4-hydroxy-7-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)C(=CC(=O)O2)O

InChI

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

InChIKey

MHZZDYJKWIQMFN-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 18692-77-8

CID: 54685307

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
OR7969-01	7-Hydroxy-4-methylcoumarin
OR5674	3-Benzyl-7-hydroxy-4-methylcoumarin
OR345062	8-Acetyl-7-hydroxy-4-methylcoumarin
PC500699	8-Fluoro-7-hydroxy-4-methylcoumarin
OR351059	3- (4’-Bromophenyl) -7-hydroxy-4-methylcoumarin
BUP20845	7-methoxy-8-hydroxy-4-methylcoumarin
OR351026-01	3-Cyano-7-hydroxy-4-methylcoumarin
OR345121-01	3-Chloro-7-hydroxy-4-methylcoumarin
OR351060	3- (4’-Chlorophenyl) -7-hydroxy-4-methylcoumarin
OR351087	7-Hydroxy-3- (4’-methoxyphenyl) -4-methylcoumarin

Catalog	Name
234911-01	7-Hydroxy-4-methylcoumarin
sc-356896	4-Hydroxy-7-methylcoumarin
233228-01	4-Hydroxy-7-methylcoumarin ≥97%
H14330-01	7-Hydroxy-4-methylcoumarin 98%
269576-01	6-Chloro-7-hydroxy-4-methylcoumarin
MBS5759676	7-methoxy-8-hydroxy-4-methylcoumarin
sc-231623	3-Chloro-7-hydroxy-4-methylcoumarin
sc-356669	3-Benzyl-7-hydroxy-4-methylcoumarin
FA45295-01	6-Amino-7-hydroxy-4-methylcoumarin
425257-01	3-Cyano-7-hydroxy-4-methylcoumarin