ß-Methylumbelliferone extrapure AR, 98%

CAT: 0565-18040-01Size: 10 gDry Ice: NoHazardous: No

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Description

Part B

CAS Number

90-33-5

Storage Temperature

2 - 8°C

Chemical Information

4-Methylumbelliferone

4-methylumbelliferone is a hydroxycoumarin that is umbelliferone substituted by a methyl group at position 4. It has a role as a hyaluronic acid synthesis inhibitor and an antineoplastic agent. It is functionally related to an umbelliferone.

CAS Number	90-33-5
PubChem CID	5280567
IUPAC Name	7-hydroxy-4-methylchromen-2-one
Molecular Formula	C10H8O3
Molecular Weight	176.17
XLogP	1.9
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=CC(=O)OC2=C1C=CC(=C2)O

InChI

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

InChIKey

HSHNITRMYYLLCV-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 90-33-5

CID: 5280567

Formula: C10H8O3

MW: 176.17

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	176.17
XLogP3	1.9
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

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Alternative Products

Catalog	Name
GE8143-1kg	4-Methylumbelliferone
CS-T-81136	4-Methylumbelliferone-13C4
HY-N0187R-01	4-Methylumbelliferone (Standard)

ß-Methylumbelliferone extrapure AR, 98%

Chemical Information

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