4-Hydroxy-6-methoxycoumarin

CAT: 0127-OR351013-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0127-OR351013-01Size:100 mg

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CAS Number

13252-84-1

MDL Number

MFCD00463526

Purity

95%

Smiles

COc1ccc2OC(=O)CC(=O)c2c1

Chemical Information

4-Hydroxy-6-methoxy-2H-1-benzopyran-2-one

CAS Number	13252-84-1
PubChem CID	54676530
IUPAC Name	4-hydroxy-6-methoxychromen-2-one
Molecular Formula	C10H8O4
Molecular Weight	192.17
XLogP	1.2
Topological Polar Surface Area	55.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Heavy Atom Count	14
Formal Charge	0
Complexity	271

SMILES

COC1=CC2=C(C=C1)OC(=O)C=C2O

InChI

InChI=1S/C10H8O4/c1-13-6-2-3-9-7(4-6)8(11)5-10(12)14-9/h2-5,11H,1H3

InChIKey

KFXXRRQBVLINPH-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 13252-84-1

CID: 54676530

Formula: C10H8O4

MW: 192.17

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	192.17
XLogP3	1.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Exact Mass	192.04225873
Monoisotopic Mass	192.04225873
Topological Polar Surface Area	55.8 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	271
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
OR22352-01	7-Hydroxy-6-methoxycoumarin
OR351000-01	6-Hydroxy-7-methoxycoumarin
OR61329-01	4-Hydroxy-7-methoxycoumarin
OR345582	4-Ethoxy-6-mEthoxycoumarin
OR351010	8-Acetyl-6-hydroxy-7-methoxycoumarin
BUP14118	4-Methyl-6-Methoxycoumarin
OR351063	3- (4'-Chlorophenyl) -6-methoxycoumarin
OR345042	8-Hydroxy-7-methoxycoumarin
OR351295	3,6-Dimethyl-4-methoxycoumarin
OR351062	3- (4'-Bromophenyl) -6-methoxycoumarin

Catalog	Name
TRC-H517345-25MG	6-Hydroxy-7-methoxycoumarin
TRC-H946275-5G	4-Hydroxy-7-methoxycoumarin
24114365	Scopoletin (7-Hydroxy-6-methoxycoumarin)
MBS3611288	4-Methyl-6-Methoxycoumarin
FM66883-01	6-Methoxycoumarin
HY-N7179	7-Hydroxy-5-methoxycoumarin
sc-268447	8-Hydroxy-7-methoxycoumarin
FH74307-01	7-hydroxy-5,6-di Methoxycoumarin (Umckalin)
AR-C08387-01	7-Hydroxy-8-Methoxycoumarin
FM66074	4-Methoxycoumarin