Methyl 2-hydroxy-3-methylbenzoate

CAT: 0024-sc-279341Size: 2 gDry Ice: NoHazardous: No

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CAT#:0024-sc-279341Size:2 g

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CAS Number

23287-26-5

Chemical Information

Benzoic acid, 2-hydroxy-3-methyl-, methyl ester

CAS Number	23287-26-5
PubChem CID	31835
IUPAC Name	methyl 2-hydroxy-3-methylbenzoate
Molecular Formula	C9H10O3
Molecular Weight	166.17
XLogP	3.2
Topological Polar Surface Area	46.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Heavy Atom Count	12
Formal Charge	0
Complexity	167

SMILES

CC1=C(C(=CC=C1)C(=O)OC)O

InChI

InChI=1S/C9H10O3/c1-6-4-3-5-7(8(6)10)9(11)12-2/h3-5,10H,1-2H3

InChIKey

SUHLUMKZPUMAFP-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 23287-26-5

CID: 31835

Formula: C9H10O3

MW: 166.17

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	166.17
XLogP3	3.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	166.062994177
Monoisotopic Mass	166.062994177
Topological Polar Surface Area	46.5 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	167
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
sc-357385	Methyl 3-hydroxy-2-methylbenzoate
sc-358341	Methyl 4-hydroxy-3-methylbenzoate
sc-269426	Methyl 2-formyl-3-hydroxy-6-methylbenzoate
sc-235690	Methyl 2-methylbenzoate
sc-263502	Methyl 2-amino-3-methylbenzoate
sc-481499	Methyl 2-chloro-3-methylbenzoate
sc-357387	Methyl 3-methoxy-2-methylbenzoate
sc-235729	Methyl 3-isocyanato-2-methylbenzoate
sc-228522	Methyl 3-amino-2-methylbenzoate
sc-357382	Methyl 3-bromo-2-methylbenzoate

Catalog	Name
TRC-B585335-5G	Methyl 2-Hydroxy-3-methylbenzoate
FM70021-01	Methyl 3-hydroxy-2-methylbenzoate
M20320-01	Methyl 2-hydroxy-3-methylbenzoate 95%
FM38416-01	Methyl 3-hydroxy-4-methylbenzoate
455727-01	Methyl 5-hydroxy-3-methylbenzoate
OR911863-01	Methyl 4-hydroxy-3-methylbenzoate
OR74701-01	Methyl 2-hydroxy-6-methylbenzoate
OR40507	Methyl 2-hydroxy-4-methylbenzoate
OR52413-01	Methyl 5-hydroxy-2-methylbenzoate
FM67704-01	Methyl 4-hydroxy-2-methylbenzoate