| CAS Number | 26286-61-3 |
| Catalog Number | AG018FO8(AGN-PC-0WO24T) |
| Chemical Name | 2-(6-Ethyl-1-benzofuran-3-yl)acetic acid |
| IUPAC Name | 2-(6-ethyl-1-benzofuran-3-yl)acetic acid |
| InChI | InChI=1S/C12H12O3/c1-2-8-3-4-10-9(6-12(13)14)7-15-11(10)5-8/h3-5,7H,2,6H2,1H3,(H,13,14) |
| InChI Key | MOTXOTFUYMRIER-UHFFFAOYSA-N |
| MDL Number | MFCD04621560 |
| Molecular Formula | C12H12O3 |
| Molecular Weight | 204.2219 |
| SMILES | CCC1=CC2=C(C(=CO2)CC(O)=O)C=C1 |
| Synonyms | 2-(6-ethyl-1-benzofuran-3-yl)acetic acid,
26286-61-3,
(6-Ethyl-benzofuran-3-yl)-acetic acid,
AC1Q2TQ9,
AC1M692U,
CTK6D1916,
DTXSID70368462,
HMS1748A15,
ZINC3278201,
AKOS000117076,
MCULE-4813823916,
NE60122,
(6-ethyl-1-benzofuran-3-yl)acetic acid,
EN300-06204,
AB00721500-01,
SR-01000046960,
SR-01000046960-1,
Z56943571,
F2124-0550,
CID2393677,
2-(6-ethylbenzofuran-3-yl)acetic Acid,
|
| Complexity | 239 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 204.079g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 204.225g/mol |
| Monoisotopic Mass | 204.079g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 50.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number