Methyl 3-ethoxy-5-methoxybenzoate

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CAS Number

62502-02-7

MDL Number

MFCD30603198

Smiles

C1 (cc (cc (c1) C (=O) OC) OC) OCC

Chemical Information

Methyl 3-ethoxy-5-methoxybenzoate

CAS Number	62502-02-7
PubChem CID	71385776
IUPAC Name	methyl 3-ethoxy-5-methoxybenzoate
Molecular Formula	C11H14O4
Molecular Weight	210.23
XLogP	2.1
Topological Polar Surface Area	44.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	5
Heavy Atom Count	15
Formal Charge	0
Complexity	205

SMILES

CCOC1=CC(=CC(=C1)OC)C(=O)OC

InChI

InChI=1S/C11H14O4/c1-4-15-10-6-8(11(12)14-3)5-9(7-10)13-2/h5-7H,4H2,1-3H3

InChIKey

FORKMRHNCILIHY-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 62502-02-7

CID: 71385776

Formula: C11H14O4

MW: 210.23

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	210.23
XLogP3	2.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	5
Exact Mass	210.08920892
Monoisotopic Mass	210.08920892
Topological Polar Surface Area	44.8 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	205
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
PC1016090-01	Methyl 3-ethoxy-2-fluoro-5-methoxybenzoate
OR1073172-01	Methyl 3-ethoxy-4-methoxybenzoate
OR1092069	Methyl 4-ethoxy-3-methoxybenzoate
OR1086988-01	Ethyl 3-ethoxy-5-methoxybenzoate
PC1015945-01	Methyl 4-ethoxy-2-fluoro-5-methoxybenzoate
OR84105-01	Methyl 2-amino-5-ethoxy-4-methoxybenzoate
OR1089032-01	Ethyl 4-ethoxy-3-iodo-5-methoxybenzoate
PC1016997-01	Ethyl 3-ethoxy-2-fluoro-5-methoxybenzoate
OR76771-01	Methyl 3-hydroxy-5-methoxybenzoate
OR948040-01	Methyl 3- (hydroxymethyl) -5-methoxybenzoate

Catalog	Name
TXA55821-01	Methyl 3-bromo-4-ethoxy-5-methoxybenzoate
UCA02610-01	Methyl 3-formyl-5-methoxybenzoate
SDB10927-01	Methyl 3-iodo-5-methoxybenzoate
UAA52074	Methyl 3-hydroxy-5-methoxybenzoate
abx184193-01	Methyl 3-Amino-5-Methoxybenzoate
sc-338039	Methyl-3-bromomethyl-5-methoxybenzoate
455191-01	Methyl 3-bromo-5-methoxybenzoate
FM37114-01	Methyl 3-methoxybenzoate
FM70315-01	Methyl 3,5-dibromo-2-methoxybenzoate
FM69888-01	Methyl 3,5-diiodo-4-methoxybenzoate