| CAS Number | 10035-37-7 |
| Catalog Number | AG00ITLD(AGN-PC-00M5H8) |
| Chemical Name | Ethyl 5-formyl-1-benzofuran-2-carboxylate |
| IUPAC Name | ethyl 5-formyl-1-benzofuran-2-carboxylate |
| InChI | InChI=1S/C12H10O4/c1-2-15-12(14)11-6-9-5-8(7-13)3-4-10(9)16-11/h3-7H,2H2,1H3 |
| InChI Key | HPIWMMIIJOHZJI-UHFFFAOYSA-N |
| MDL Number | MFCD11501717 |
| Molecular Formula | C12H10O4 |
| Molecular Weight | 218.2054 |
| SMILES | O=C(OCC)C=1(OC2(=CC=C(C=C2(C=1))C=O)) |
| Synonyms | ethyl 5-formyl-1-benzofuran-2-carboxylate,
10035-37-7,
2-Benzofurancarboxylic acid, 5-formyl-, ethyl ester,
SCHEMBL1068378,
HPIWMMIIJOHZJI-UHFFFAOYSA-N,
KS-000021WH,
ZINC22996441,
AKOS005106551,
ethyl 5-formylbenzofuran-2-carboxylate,
AA-0847,
MCULE-8190468154,
Ethyl 5-Formyl-benzofuran-2-carboxylate,
|
| Complexity | 276 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 218.058g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 218.208g/mol |
| Monoisotopic Mass | 218.058g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 56.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number