| CAS Number | 731802-26-9 |
| Catalog Number | AG00FO6U(AGN-PC-0KWZ0D) |
| Chemical Name | 3-(Ethoxymethyl)benzofuran-2-carboxylic acid |
| IUPAC Name | 3-(ethoxymethyl)-1-benzofuran-2-carboxylic acid |
| InChI | InChI=1S/C12H12O4/c1-2-15-7-9-8-5-3-4-6-10(8)16-11(9)12(13)14/h3-6H,2,7H2,1H3,(H,13,14) |
| InChI Key | QDLPJYSSHZFNAE-UHFFFAOYSA-N |
| MDL Number | MFCD04627328 |
| Molecular Formula | C12H12O4 |
| Molecular Weight | 220.2213 |
| SMILES | CCOCC1C2=C(C=CC=C2)OC=1C(O)=O |
| Synonyms | 3-(ethoxymethyl)-1-benzofuran-2-carboxylic acid,
731802-26-9,
3-(ethoxymethyl)benzofuran-2-carboxylic Acid,
AC1MSTHT,
AC1Q386C,
CTK6G3557,
DTXSID00393944,
ZINC3886895,
MFCD04627328,
AKOS000359765,
MCULE-5426806899,
NE51690,
AS-44012,
EN300-07265,
Z56950520,
CID3589845,
|
| Complexity | 253 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 220.074g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 220.224g/mol |
| Monoisotopic Mass | 220.074g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 59.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number