5-Hydroxy Coumarin

CAT: 1596-AR-C03671-02Size: 25 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-C03671-02Size:25 Units

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CAS Number

6093-67-0

Synonyms

5-hydroxy-2H-chromen-2-one

Molecular Formula

C9H6O3

Molecular Weight

162.15

API Name

Coumarin

Chemical Information

5-hydroxy-2H-chromen-2-one

5-hydroxy-2H-chromen-2-one is a hydroxycoumarin.

CAS Number	6093-67-0
PubChem CID	5318179
IUPAC Name	5-hydroxychromen-2-one
Molecular Formula	C9H6O3
Molecular Weight	162.14
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	12
Formal Charge	0
Complexity	222

SMILES

C1=CC(=C2C=CC(=O)OC2=C1)O

InChI

InChI=1S/C9H6O3/c10-7-2-1-3-8-6(7)4-5-9(11)12-8/h1-5,10H

InChIKey

CDHSCTCRBLLCBJ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 6093-67-0

CID: 5318179

Formula: C9H6O3

MW: 162.14

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	162.14
XLogP3	1.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Exact Mass	162.031694049
Monoisotopic Mass	162.031694049
Topological Polar Surface Area	46.5 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	222
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
AR-C08381-01	4-Hydroxy-5-methyl Coumarin
AR-C03668-01	4-Hydroxy Coumarin
AR-C03673-01	6-Hydroxy Coumarin
AR-C03672-01	8-Hydroxy Coumarin
AR-C08382-01	3-Acetyl-4-hydroxy-5-methyl Coumarin
AR-C03659-01	7-Hydroxy Coumarin-d5
AR-C03666-01	7-Hydroxy Coumarin Glucuronide Sodium
AR-C03679-01	3-Acetyl-4-Hydroxy Coumarin
AR-C03674-01	7-Hydroxy-4-Methyl Coumarin Glucuronide
AR-C03662-01	7-Hydroxy Coumarin Sulphate Potassium Salt