4-Ethoxy-3-methoxybenzoic acid

CAT: 0926-FE121732-01Size: 25 gDry Ice: NoHazardous: No

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CAT#:0926-FE121732-01Size:25 g

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CAS Number

3535-30-6

Synonyms

Benzoic acid, 4-ethoxy-3-methoxy-

MDL Number

MFCD00127725

Smiles

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

Molecular Formula

C10H12O4

Molecular Weight

196.2 g/mol

Controlled

Chemical Information

4-Ethoxy-m-anisic acid

CAS Number	3535-30-6
PubChem CID	77069
IUPAC Name	4-ethoxy-3-methoxybenzoic acid
Molecular Formula	C10H12O4
Molecular Weight	196.20
XLogP	2
Topological Polar Surface Area	55.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Heavy Atom Count	14
Formal Charge	0
Complexity	193

SMILES

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

InChI

InChI=1S/C10H12O4/c1-3-14-8-5-4-7(10(11)12)6-9(8)13-2/h4-6H,3H2,1-2H3,(H,11,12)

InChIKey

LBYKODYNFRCBIR-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 3535-30-6

CID: 77069

Formula: C10H12O4

MW: 196.20

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	196.20
XLogP3	2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Exact Mass	196.07355886
Monoisotopic Mass	196.07355886
Topological Polar Surface Area	55.8 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	193
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
CAA65155	3-Ethoxy-4-methoxybenzoic acid
FE66577-01	2-Ethoxy-4-methoxybenzoic acid
MDB29448-01	3-Chloro-4-ethoxy-5-methoxybenzoic acid
UMC08452-01	4- (2-{[ (tert-Butoxy) carbonyl]amino}ethoxy) -3-methoxybenzoic acid
FM00503-01	4-Methoxybenzoic acid
ZLA18134-01	3- (Diethylsulfamoyl) -4-methoxybenzoic acid
FF66821-01	4-Fluoro-3-methoxybenzoic acid
FB70018-01	4-Benzyloxy-3-methoxybenzoic acid
NIA59813-01	3-Methanesulfonyl-4-methoxybenzoic acid
XAA93435-01	3-Ethyl-4-methoxybenzoic acid

Catalog	Name
OR953981-01	4-Ethoxy-3-methoxybenzoic acid
sc-266636	3-Ethoxy-4-methoxybenzoic acid
OR1092838-01	4-Ethoxy-2-methoxybenzoic acid
OR1092801	2-ethoxy-4-methoxybenzoic acid
OR1092468-01	3-ethoxy-2-methoxybenzoic acid
sc-312567	3-Bromo-5-ethoxy-4-methoxybenzoic acid
PC1016172-01	4-ethoxy-3-fluoro-5-methoxybenzoic acid
sc-346643A	3-chloro-4-ethoxy-5-methoxybenzoic acid
sc-312550	3-Bromo-4-ethoxy-5-methoxybenzoic acid
PC1016344-01	2-Ethoxy-3-fluoro-4-methoxybenzoic acid