| CAS Number | 53596-64-8 |
| Catalog Number | AG01C4TX(AGN-PC-01C0PJ) |
| Chemical Name | Methyl 2-methyl-2,3-dihydro-1-benzofuran-5-carboxylate |
| IUPAC Name | methyl 2-methyl-2,3-dihydro-1-benzofuran-5-carboxylate |
| InChI | InChI=1S/C11H12O3/c1-7-5-9-6-8(11(12)13-2)3-4-10(9)14-7/h3-4,6-7H,5H2,1-2H3 |
| InChI Key | SHTUDRHLHSNFRJ-UHFFFAOYSA-N |
| MDL Number | MFCD08582781 |
| Molecular Formula | C11H12O3 |
| Molecular Weight | 192.2112 |
| SMILES | COC(C1=CC2=C(OC(C2)C)C=C1)=O |
| Synonyms | 53596-64-8,
METHYL 2-METHYL-2,3-DIHYDRO-1-BENZOFURAN-5-CARBOXYLATE,
methyl 2-methyl-2,3-dihydrobenzofuran-5-carboxylate,
SCHEMBL16742309,
AKOS003382083,
MCULE-8439580940,
ST083317,
methyl 2-methyl-2,3-dihydrobenzo[b]furan-5-carboxylate,
2,3-Dihydro-2-methylbenzofuran-5-carboxylic acid methyl ester,
|
| Complexity | 227 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 192.079g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 192.214g/mol |
| Monoisotopic Mass | 192.079g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 35.5A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number