3-Hydroxy-5-methylbenzoic acid

CAT: 0127-OR345377-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0127-OR345377-01Size:250 mg

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CAS Number

585-81-9

MDL Number

MFCD09833213

Purity

97%

Smiles

Cc1cc(O)cc(c1)C(=O)O

Chemical Information

3-Hydroxy-5-methylbenzoic acid

CAS Number	585-81-9
PubChem CID	231756
IUPAC Name	3-hydroxy-5-methylbenzoic acid
Molecular Formula	C8H8O3
Molecular Weight	152.15
XLogP	1.5
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(=CC(=C1)O)C(=O)O

InChI

InChI=1S/C8H8O3/c1-5-2-6(8(10)11)4-7(9)3-5/h2-4,9H,1H3,(H,10,11)

InChIKey

CFXOUQXGRQXUSE-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 585-81-9

CID: 231756

Formula: C8H8O3

MW: 152.15

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	152.15
XLogP3	1.5
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

Catalog	Name
OR28783-01	2-Hydroxy-5-methylbenzoic acid
OR304202-01	5-Hydroxy-2-methylbenzoic acid
PC1012076-01	3-fluoro-2-hydroxy-5-methylbenzoic acid
PC1462	3-Fluoro-5-hydroxy-4-methylbenzoic acid
PC1014038-01	2-Fluoro-5-hydroxy-3-methylbenzoic acid
OR1069911-01	5-Bromo-3-hydroxy-2-methylbenzoic acid
OR1050842-01	5-Chloro-2-hydroxy-3-methylbenzoic acid
OR1099928-01	3-Bromo-4-hydroxy-5-methylbenzoic acid
OR1057494-01	3-Bromo-2-hydroxy-5-methylbenzoic acid
OR14371	5-Bromo-2-hydroxy-3-methylbenzoic acid

Catalog	Name
FH12521-01	3-Hydroxy-5-methylbenzoic acid
sc-233373	5-Hydroxy-2-methylbenzoic acid
EAA38642-01	2-Hydroxy-3-methoxy-5-methylbenzoic acid
TN8744-01	3-formyl-2-hydroxy-5-methylbenzoic acid
sc-262468	5-Bromo-2-hydroxy-3-methylbenzoic acid
GAA08300-01	2-Hydroxy-3-iodo-5-methylbenzoic acid
sc-346551A	3-bromo-2-hydroxy-5-methylbenzoic acid
AL BE 0464-01	5-chloro-2-hydroxy-3-methylbenzoic acid
C6993-200	4-Hydroxy-3-methylbenzoic acid
TYD-00741-01	3-Hydroxy-4-methylbenzoic acid