3,5-Dimethoxybenzoic acid ethyl ester

CAT: 0926-FD71180-01Size: 1 gDry Ice: NoHazardous: No

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CAT#:0926-FD71180-01Size:1 g

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CAS Number

17275-82-0

Synonyms

Ethyl 3,5-dimethoxybenzoate

MDL Number

MFCD00017266

Smiles

CCOC (=O) C1=CC (=CC (=C1) OC) OC

Molecular Formula

C11H14O4

Molecular Weight

210.23 g/mol

Controlled

Chemical Information

Ethyl 3,5-dimethoxybenzoate

CAS Number	17275-82-0
PubChem CID	87026
IUPAC Name	ethyl 3,5-dimethoxybenzoate
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	193

SMILES

CCOC(=O)C1=CC(=CC(=C1)OC)OC

InChI

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

InChIKey

OKZIFGAAWSUMHS-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 17275-82-0

CID: 87026

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	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
FCA70368-01	4-Ethyl-3,5-dimethoxybenzoic acid
FD00304-01	3,5-Dimethoxybenzoic acid
FB70855-01	4-Bromo-3,5-dimethoxybenzoic acid methyl ester
FD67083-01	3,5-Dihydroxybenzoic acid ethyl ester
FD70533-01	3,5-Dimethylbenzoic acid ethyl ester
FB55410-01	4-Bromo-3,5-dimethoxybenzoic acid
WJB67325-01	4- (Carbamoylmethoxy) -3,5-dimethoxybenzoic acid
DFA67046-01	5-Amino-2,3-dimethoxybenzoic acid
KWC03001-01	4-Fluoro-3,5-dimethoxybenzoic Acid
EDA26300	2-Amino-3,5-dimethoxybenzoic acid

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