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Hydroxytoluic acid

CAT: 0013-GTR19161515-01Size: 1 gDry Ice: NoHazardous: No
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CAT#:0013-GTR19161515-01Size:1 g
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Description
The salts or esters of salicylic acids, or salicylate esters of an organic acid. Some of these have analgesic, antipyretic, and anti-inflammatory activities by inhibiting prostaglandin synthesis.
CAS Number
83-40-9
Product Name Alternative
Hydroxytoluic acid | NSC 17561 | NSC17561 | NSC-17561
Purity
>98% (HPLC)
Solubility
DMSO: 10 mM
Smiles
CC1=C (O) C (C (O) =O) =CC=C1
Molecular Formula
C8H8O3
Molecular Weight
152.15
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.
Other Product Names
2,3-Cresotic acid

Chemical Information

3-Methylsalicylic Acid

3-methylsalicylic acid is a monohydroxybenzoic acid consisting of salicylic acid carrying a methyl group at the 3-position. It has a role as a bacterial xenobiotic metabolite. It is functionally related to a salicylic acid. It is a conjugate acid of a 3-methylsalicylate.

CAS Number83-40-9
PubChem CID6738
IUPAC Name2-hydroxy-3-methylbenzoic acid
Molecular FormulaC8H8O3
Molecular Weight152.15
XLogP2.9
Topological Polar Surface Area57.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count11
Formal Charge0
Complexity155
SMILES
CC1=C(C(=CC=C1)C(=O)O)O
InChI
InChI=1S/C8H8O3/c1-5-3-2-4-6(7(5)9)8(10)11/h2-4,9H,1H3,(H,10,11)
InChIKey
WHSXTWFYRGOBGO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-Methylsalicylic Acid
CAS: 83-40-9
CID: 6738
Formula: C8H8O3
MW: 152.15
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight152.15
XLogP32.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass152.047344113
Monoisotopic Mass152.047344113
Topological Polar Surface Area57.5 Ų
Heavy Atom Count11
Formal Charge0
Complexity155
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

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