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4-Methylsalicylic acid

CAT: 0926-FM25564-01Size: 0.1 KgDry Ice: NoHazardous: No
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CAT#:0926-FM25564-01Size:0.1 Kg
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CAS Number
50-85-1
Synonyms
2-Hydroxy-4-methylbenzoic acid;2,4-Cresotic acid;2-Hydroxy-p-toluic acid
MDL Number
MFCD00002454
Smiles
CC1=CC (=C (C=C1) C (=O) O) O
Molecular Formula
C8H8O3
Molecular Weight
152.15 g/mol
Controlled
No

Chemical Information

2-Hydroxy-p-toluic acid

4-methylsalicylic acid is a monohydroxybenzoic acid consisting of salicylic acid having a methyl group at the 4-position. It is functionally related to a salicylic acid.

CAS Number50-85-1
PubChem CID5788
IUPAC Name2-hydroxy-4-methylbenzoic acid
Molecular FormulaC8H8O3
Molecular Weight152.15
XLogP3
Topological Polar Surface Area57.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count11
Formal Charge0
Complexity155
SMILES
CC1=CC(=C(C=C1)C(=O)O)O
InChI
InChI=1S/C8H8O3/c1-5-2-3-6(8(10)11)7(9)4-5/h2-4,9H,1H3,(H,10,11)
InChIKey
NJESAXZANHETJV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Hydroxy-p-toluic acid
CAS: 50-85-1
CID: 5788
Formula: C8H8O3
MW: 152.15
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight152.15
XLogP33
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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