Ethyl 3-hydroxy-2-methylbenzoate

CAT: 0127-OR75882-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0127-OR75882-01Size:250 mg

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CAS Number

141607-09-2

MDL Number

MFCD18396518

Purity

99%

Smiles

O=C(OCC)C1=CC=CC(O)=C1C

Chemical Information

Ethyl 3-hydroxy-2-methylbenzoate

CAS Number	141607-09-2
PubChem CID	15376194
IUPAC Name	ethyl 3-hydroxy-2-methylbenzoate
Molecular Formula	C10H12O3
Molecular Weight	180.20
XLogP	2.2
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)O)C

InChI

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

InChIKey

WWTLEVOTRVPTOD-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 141607-09-2

CID: 15376194

Formula: C10H12O3

MW: 180.20

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	180.20
XLogP3	2.2
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
OR1092808	Ethyl 2-hydroxy-3-methylbenzoate
OR1051973-01	Ethyl 2-hydroxy-4-methylbenzoate
OR1096447	Ethyl 3-hydroxy-5-methylbenzoate
OR1100858	Ethyl 5-hydroxy-2-methylbenzoate
OR96133-01	Ethyl 2-hydroxy-5-methylbenzoate
OR1091010-01	Ethyl 3-ethyl-2-methylbenzoate
OR1097470-01	Ethyl 3-bromo-4-hydroxy-5-methylbenzoate
OR21839	Ethyl 4-amino-5-cyano-2-hydroxy-3-methylbenzoate
OR912132-01	Methyl 3-hydroxy-2-methylbenzoate
OR923435-01	Ethyl 2-methylbenzoate

Catalog	Name
FCA21185-01	Ethyl 2-hydroxy-3-methylbenzoate
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2152661-10-2	Ethyl 4-formyl-3-hydroxy-2-methylbenzoate
AL BI 0464-01	Ethyl 5-chloro-2-hydroxy-3-methylbenzoate
sc-357352	Ethyl 2-methylbenzoate
RG-E140833-01	Ethyl 2-amino-3-methylbenzoate
RG-E140575-01	Ethyl 2,3-difluoro-4-methylbenzoate
TBC18856	2- (Diethylamino) ethyl 2-amino-3-methylbenzoate
DXC60400-01	Ethyl 3-bromo-4-fluoro-2-methylbenzoate
QKC41082-01	Ethyl 5-bromo-2-fluoro-3-methylbenzoate