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4-Hydroxy-3-methylbenzoic acid

CAT: 0024-sc-232761Size: 1 gDry Ice: NoHazardous: No
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CAT#:0024-sc-232761Size:1 g
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CAS Number
499-76-3

Chemical Information

4-Hydroxy-3-methylbenzoic acid

4-hydroxy-3-methylbenzoic acid is a monohydroxybenzoic acid that is 4-hydroxybenzoic acid substituted by a methyl group at position 3. It has a role as a human blood serum metabolite. It is a monohydroxybenzoic acid and a member of toluenes.

CAS Number499-76-3
PubChem CID68138
IUPAC Name4-hydroxy-3-methylbenzoic acid
Molecular FormulaC8H8O3
Molecular Weight152.15
XLogP0.9
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/c1-5-4-6(8(10)11)2-3-7(5)9/h2-4,9H,1H3,(H,10,11)
InChIKey
LTFHNKUKQYVHDX-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-Hydroxy-3-methylbenzoic acid
CAS: 499-76-3
CID: 68138
Formula: C8H8O3
MW: 152.15
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight152.15
XLogP30.9
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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