3-Ethoxy-4-methoxybenzoic acid

CAT: 0926-CAA65155Size: 5 gDry Ice: NoHazardous: No

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CAT#:0926-CAA65155Size:5 g

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CAS Number

2651-55-0

MDL Number

MFCD00276591

Smiles

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

Molecular Formula

C10H12O4

Molecular Weight

196.2 g/mol

Controlled

Chemical Information

3-Ethoxy-4-methoxybenzoic acid

CAS Number	2651-55-0
PubChem CID	2822957
IUPAC Name	3-ethoxy-4-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=CC(=C1)C(=O)O)OC

InChI

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

InChIKey

DMSAIFTWQMXOBE-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2651-55-0

CID: 2822957

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
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Catalog	Name
OR953981-01	4-Ethoxy-3-methoxybenzoic acid
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OR84080-01	3-Bromo-4-ethoxy-5-methoxybenzoic acid