4-Methoxycoumarine

CAT: 0024-sc-267612Size: 5 gDry Ice: NoHazardous: No

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CAT#:0024-sc-267612Size:5 g

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CAS Number

20280-81-3

Chemical Information

4-Methoxycourmarin

CAS Number	20280-81-3
PubChem CID	529426
IUPAC Name	4-methoxychromen-2-one
Molecular Formula	C10H8O3
Molecular Weight	176.17
XLogP	1.6
Topological Polar Surface Area	35.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Heavy Atom Count	13
Formal Charge	0
Complexity	245

SMILES

COC1=CC(=O)OC2=CC=CC=C21

InChI

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

InChIKey

MLCMXDYMSAZNPC-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 20280-81-3

CID: 529426

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	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	176.047344113
Monoisotopic Mass	176.047344113
Topological Polar Surface Area	35.5 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	245
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-210081	4-Hydroxy-7-methoxycoumarin
sc-206848	4-Bromomethyl-7-methoxycoumarin
sc-210636	7-Methoxycoumarin-4-acetic Acid
sc-207180	7-Methoxycoumarin-4-acetyl-L-proline
sc-288772	3- (4,6-Difluorotriazinyl) amino-7-methoxycoumarin
sc-218999	N-[2-Methanethiosulfonylethyl]-7-methoxycoumarin-4-acetamide
sc-210637	7-Methoxycoumarin-4-acetic Acid N-Succinimidyl Ester
sc-217461	7-Methoxycoumarin-4-Acetyl-L-proline tert-Butyl Ester
sc-295876A	Nalpha-Fmoc-Nepsilon-7-methoxycoumarin-4-acetyl-L-lysine
sc-295876	Nalpha-Fmoc-Nepsilon-7-methoxycoumarin-4-acetyl-L-lysine

Catalog	Name
GTR19156783-01	4-Methoxycoumarine
OR1011275-01	4,4',4'',4'''-Methanetetrayltetraphenol
OR1011273-01	4,4',4'',4'''-Methanetetrayltetrabenzaldehyde
PC5215	4,4,4,4',4',4'-Hexafluorovaline hydrochloride
PC6412	4,4,4-Trifluorobutyl 4,4,4-trifluorobutanoate
PC450233-01	4,4,4,4',4',4'-Hexafluorovaline, ethyl ester
OR1011238-01	4,4,4,4-Silanetetrayltetrabenzaldehyde
PC4810-01	4,4,4,4',4',4'-Hexafluoro-DL-valine
HY-W099255-01	Ethyl 4,4,4,4',4',4'-hexafluoro-DL-valinate
OR1011274-01	4,4',4'',4'''-Methanetetrayltetrabenzoic Acid