Methyl 5-hydroxy-2-methylbenzoate

CAT: 0127-OR52413-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0127-OR52413-01Size:250 mg

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CAS Number

73505-48-3

MDL Number

MFCD11226199

Purity

97%

Smiles

COC(=O)c1cc(O)ccc1C

Chemical Information

Methyl 5-hydroxy-2-methylbenzoate

CAS Number	73505-48-3
PubChem CID	13929055
IUPAC Name	methyl 5-hydroxy-2-methylbenzoate
Molecular Formula	C9H10O3
Molecular Weight	166.17
XLogP	2.4
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=C(C=C1)O)C(=O)OC

InChI

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

InChIKey

XRTIUIMAICRVLI-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 73505-48-3

CID: 13929055

Formula: C9H10O3

MW: 166.17

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	166.17
XLogP3	2.4
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
OR27143-01	Methyl 2-hydroxy-5-methylbenzoate
OR907668-01	Methyl 5-hydroxy-3-methylbenzoate
OR1099680	Methyl 5-bromo-2-hydroxy-3-methylbenzoate
PC1010779-01	Methyl 5-fluoro-3-hydroxy-2-methylbenzoate
OR46691-01	Methyl 2-Bromo-5-hydroxy-4-methylbenzoate
PC904299-01	Methyl 2-fluoro-5-hydroxy-4-methylbenzoate
OR1087149	Methyl 3-bromo-5-hydroxy-2-methylbenzoate
OR1039385-01	Methyl 5-bromo-2-hydroxy-4-methylbenzoate
OR1007471-01	Methyl 5-bromo-3-hydroxy-2-methylbenzoate
OR18028-01	Methyl 3-amino-2-hydroxy-5-methylbenzoate

Catalog	Name
FM170860	Methyl 5-hydroxy-2-methylbenzoate
TRC-B585318-2.5G	Methyl 2-Hydroxy-5-methylbenzoate
455727-01	Methyl 5-hydroxy-3-methylbenzoate
AL BF 0464-01	Methyl 5-chloro-2-hydroxy-3-methylbenzoate
QBA91271-01	Methyl 5-bromo-2-hydroxy-3-methylbenzoate
AL BF 1331-01	Methyl 5-chloro-2-hydroxy-4-methylbenzoate
SJC04087-01	Methyl 5-bromo-3-hydroxy-2-methylbenzoate
sc-357385	Methyl 3-hydroxy-2-methylbenzoate
TRC-B585335-5G	Methyl 2-Hydroxy-3-methylbenzoate
AR-M03067-01	Methyl 2-Hydroxy-6-Methylbenzoate