Ethyl 2-hydroxy-5-methylbenzoate

CAT: 0127-OR96133-01Size: 1 gDry Ice: NoHazardous: No

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CAT#:0127-OR96133-01Size:1 g

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CAS Number

34265-58-2

MDL Number

MFCD00192161

Purity

98%

Smiles

CCOC(=O)C1=C(C=CC(=C1)C)O

Chemical Information

Ethyl 5-methylsalicylate

CAS Number	34265-58-2
PubChem CID	118629
IUPAC Name	ethyl 2-hydroxy-5-methylbenzoate
Molecular Formula	C10H12O3
Molecular Weight	180.20
XLogP	3.5
Topological Polar Surface Area	46.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Heavy Atom Count	13
Formal Charge	0
Complexity	179

SMILES

CCOC(=O)C1=C(C=CC(=C1)C)O

InChI

InChI=1S/C10H12O3/c1-3-13-10(12)8-6-7(2)4-5-9(8)11/h4-6,11H,3H2,1-2H3

InChIKey

ZGYXABNSOOACGL-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 34265-58-2

CID: 118629

Formula: C10H12O3

MW: 180.20

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	180.20
XLogP3	3.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	180.078644241
Monoisotopic Mass	180.078644241
Topological Polar Surface Area	46.5 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	179
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
OR1100858	Ethyl 5-hydroxy-2-methylbenzoate
OR1096447	Ethyl 3-hydroxy-5-methylbenzoate
OR1051973-01	Ethyl 2-hydroxy-4-methylbenzoate
OR1092808	Ethyl 2-hydroxy-3-methylbenzoate
OR75882-01	Ethyl 3-hydroxy-2-methylbenzoate
OR1097470-01	Ethyl 3-bromo-4-hydroxy-5-methylbenzoate
OR52413-01	Methyl 5-hydroxy-2-methylbenzoate
OR27143-01	Methyl 2-hydroxy-5-methylbenzoate
OR21839	Ethyl 4-amino-5-cyano-2-hydroxy-3-methylbenzoate
OR1081067	Ethyl 2-bromo-5-methylbenzoate

Catalog	Name
AL BI 0464-01	Ethyl 5-chloro-2-hydroxy-3-methylbenzoate
FCA21185-01	Ethyl 2-hydroxy-3-methylbenzoate
sc-357935	Ethyl 2-hydroxy-6-methylbenzoate
sc-481498	Ethyl 2-amino-5-methylbenzoate
FE80010-01	Ethyl 5-Fluoro-2-Methylbenzoate
ZLB85948-01	Ethyl 5- (chlorosulfonyl) -2-methylbenzoate
2152661-10-2	Ethyl 4-formyl-3-hydroxy-2-methylbenzoate
sc-357352A	Ethyl 2-methylbenzoate
PMC54352-01	Ethyl 5-bromo-4-fluoro-2-methylbenzoate
449401-01	Ethyl 5-bromo-2-fluoro-3-methylbenzoate