| CAS Number | 52489-34-6 |
| Catalog Number | AG01A2RJ(AGN-PC-0NKFT5) |
| Chemical Name | 2-Ethyl-1-benzofuran-3-carboxylic acid |
| IUPAC Name | 2-ethyl-1-benzofuran-3-carboxylic acid |
| InChI | InChI=1S/C11H10O3/c1-2-8-10(11(12)13)7-5-3-4-6-9(7)14-8/h3-6H,2H2,1H3,(H,12,13) |
| InChI Key | TUGDACOXNMKOOC-UHFFFAOYSA-N |
| MDL Number | MFCD17257563 |
| Molecular Formula | C11H10O3 |
| Molecular Weight | 190.1953 |
| SMILES | CCC1=C(C(O)=O)C2=C(C=CC=C2)O1 |
| Synonyms | 2-ethyl-1-benzofuran-3-carboxylic acid,
52489-34-6,
2-ethyl-benzofuran-3-carboxylic acid,
SCHEMBL4670184,
MFCD17257563,
ZINC39305472,
AKOS009158110,
NE37086,
AS-44014,
2-ethylbenzofuran-3-carboxylic acid,
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| Complexity | 227 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 190.063g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 190.198g/mol |
| Monoisotopic Mass | 190.063g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 50.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number