| CAS Number | 882248-24-0 |
| Catalog Number | AG008B90(AGN-PC-0WB4YL) |
| Chemical Name | 2-(5-Ethylbenzofuran-3-yl)acetic acid |
| IUPAC Name | 2-(5-ethyl-1-benzofuran-3-yl)acetic acid |
| InChI | InChI=1S/C12H12O3/c1-2-8-3-4-11-10(5-8)9(7-15-11)6-12(13)14/h3-5,7H,2,6H2,1H3,(H,13,14) |
| InChI Key | XIELPSZKUUDDMN-UHFFFAOYSA-N |
| MDL Number | MFCD04116250 |
| Molecular Formula | C12H12O3 |
| Molecular Weight | 204.2219 |
| SMILES | C1(CC(O)=O)=COC2=CC=C(CC)C=C12 |
| Synonyms | 882248-24-0,
(5-ethyl-1-benzofuran-3-yl)acetic acid,
2-(5-ethylbenzofuran-3-yl)acetic Acid,
2-(5-ethyl-1-benzofuran-3-yl)acetic acid,
2-(5-ethylbenzo[b]furan-3-yl)acetic acid,
AC1NHAIZ,
CTK5F9531,
DTXSID10406115,
ZINC4137176,
AKOS BBS-00001917,
MFCD06740726,
SBB039315,
AKOS000267737,
AJ-48169,
(5-ethyl-1-benzo[b]furan-3-yl)acetic acid,
ST50160333,
Y-2484,
AKOSBBS-00001917,
CID4737062,
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| 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
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Certificate of Analysis
Lot Number