4-Methylsalicylic acid

CAT: 1410-M27523-01Size: 1 mL x 10 mM in DMSODry Ice: NoHazardous: No

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CAT#:1410-M27523-01Size:1 mL x 10 mM in DMSO

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Description

4-Methylsalicylic acid is used to inhibit the medium chain acyl-CoA synthetase.

CAS Number

50-85-1

Stability

≥ 2 years

Purity

>98% (HPLC)

Weight

152.149

Molecular Formula

C8H8O3

Notes

Research use only, not for human use.

Receptor

——

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 Number	50-85-1
PubChem CID	5788
IUPAC Name	2-hydroxy-4-methylbenzoic acid
Molecular Formula	C8H8O3
Molecular Weight	152.15
XLogP	3
Topological Polar Surface Area	57.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Heavy Atom Count	11
Formal Charge	0
Complexity	155

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

CAS: 50-85-1

CID: 5788

Formula: C8H8O3

MW: 152.15

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	152.15
XLogP3	3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	152.047344113
Monoisotopic Mass	152.047344113
Topological Polar Surface Area	57.5 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	155
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

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Catalog	Name
HY-78144-01	4-Methylsalicylic acid
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HY-W002751-01	6-Methylsalicylic acid
HY-B1399R-01	3-Methylsalicylic acid (Standard)
HY-W002751R	6-Methylsalicylic acid (Standard)
OR912635-01	6-Methylsalicylic acid ethyl ester
32768-20-0	3-METHYLSALICYLIC ACID SODIUM SALT
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4-Methylsalicylic acid

Chemical Information

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