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Lawsone

CAT: 0926-FL02351-01Size: 0.25 kgDry Ice: NoHazardous: No
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CAT#:0926-FL02351-01Size:0.25 kg
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CAS Number
83-72-7
Synonyms
2-Hydroxy-1,4-naphthaquinone; Natural Orange 6
MDL Number
MFCD00001678
Smiles
C1=CC=C2C (=C1) C (=CC (=O) C2=O) O
Molecular Formula
C10H6O3
Molecular Weight
174.16 g/mol
Controlled
No

Chemical Information

2-Hydroxy-1,4-naphthoquinone

Lawsone is 1,4-Naphthoquinone carrying a hydroxy function at C-2. It is obtained from the leaves of Lawsonia inermis. It has a role as an antifungal agent and a protective agent. It is a tautomer of a naphthalene-1,2,4-trione.

CAS Number83-72-7
PubChem CID6755
IUPAC Name4-hydroxynaphthalene-1,2-dione
Molecular FormulaC10H6O3
Molecular Weight174.15
XLogP0.9
Topological Polar Surface Area54.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Heavy Atom Count13
Formal Charge0
Complexity291
SMILES
C1=CC=C2C(=C1)C(=CC(=O)C2=O)O
InChI
InChI=1S/C10H6O3/c11-8-5-9(12)10(13)7-4-2-1-3-6(7)8/h1-5,11H
InChIKey
WVCHIGAIXREVNS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Hydroxy-1,4-naphthoquinone
CAS: 83-72-7
CID: 6755
Formula: C10H6O3
MW: 174.15
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight174.15
XLogP30.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Exact Mass174.031694049
Monoisotopic Mass174.031694049
Topological Polar Surface Area54.4 Ų
Heavy Atom Count13
Formal Charge0
Complexity291
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
C6962-500Lawsone
A17315-1000Lawsone 1g
HY-N2493R-01Lawsone (Standard)
A17315-500Lawsone 500mg
HY-N2493S-01Lawsone-d4
BUP16704-01Lawsone methyl ether
A22394-100Lawsone methyl ether 100mg
HY-N7116RLawsone methyl ether (Standard)
A22394-500Lawsone methyl ether 500mg
A22394-50Lawsone methyl ether 50mg

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