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Orsellinic Acid

CAT: 0543-O050-25MGSize: 25 mgDry Ice: NoHazardous: No
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CAT#:0543-O050-25MGSize:25 mg
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CAS Number
480-64-8
Applications
Cancer Research, Microbiology, BioActive Small Molecules.
Purity
>95% by HPLC
Molecular Formula
C8H8O4
Molecular Weight
168.15
Shipping Conditions
Ambient
Storage Conditions
-20°C

Chemical Information

Orsellinic Acid

O-orsellinic acid is a dihydroxybenzoic acid that is 2,4-dihydroxybenzoic acid in which the hydrogen at position 6 is replaced by a methyl group. It has a role as a metabolite, a marine metabolite and a fungal metabolite. It is a dihydroxybenzoic acid and a member of resorcinols. It is a conjugate acid of an o-orsellinate.

CAS Number480-64-8
PubChem CID68072
IUPAC Name2,4-dihydroxy-6-methylbenzoic acid
Molecular FormulaC8H8O4
Molecular Weight168.15
XLogP1.7
Topological Polar Surface Area77.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Heavy Atom Count12
Formal Charge0
Complexity180
SMILES
CC1=CC(=CC(=C1C(=O)O)O)O
InChI
InChI=1S/C8H8O4/c1-4-2-5(9)3-6(10)7(4)8(11)12/h2-3,9-10H,1H3,(H,11,12)
InChIKey
AMKYESDOVDKZKV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Orsellinic Acid
CAS: 480-64-8
CID: 68072
Formula: C8H8O4
MW: 168.15
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight168.15
XLogP31.7
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Exact Mass168.04225873
Monoisotopic Mass168.04225873
Topological Polar Surface Area77.8 Ų
Heavy Atom Count12
Formal Charge0
Complexity180
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