| CAS Number | 959016-57-0 |
| Catalog Number | AG01A31F(AGN-PC-0WOL66) |
| Chemical Name | Ethyl 2,3-dihydro-1-benzofuran-3-carboxylate |
| IUPAC Name | ethyl 2,3-dihydro-1-benzofuran-3-carboxylate |
| InChI | InChI=1S/C11H12O3/c1-2-13-11(12)9-7-14-10-6-4-3-5-8(9)10/h3-6,9H,2,7H2,1H3 |
| InChI Key | SNFFLMIXGRNVJZ-UHFFFAOYSA-N |
| MDL Number | MFCD19655563 |
| Molecular Formula | C11H12O3 |
| Molecular Weight | 192.2112 |
| SMILES | CCOC(C1C2=C(C=CC=C2)OC1)=O |
| Synonyms | Ethyl 2,3-dihydro-1-benzofuran-3-carboxylate,
959016-57-0,
2,3-Dihydrobenzofuran-3-carboxylic acid, ethyl ester,
SCHEMBL18740900,
CTK6F7337,
SNFFLMIXGRNVJZ-UHFFFAOYSA-N,
AKOS013433624,
ACN-025247,
NE50534,
Ethyl 2,3-dihydro-1-benzofuran-3-carboxylate #,
AC1LB5XD,
CID576942,
|
| Complexity | 215 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 192.078644g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 192.21g/mol |
| Monoisotopic Mass | 192.078644g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 35.5Ų |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number