| CAS Number | 1083168-68-6 |
| Catalog Number | AG01DXF2 |
| Chemical Name | Methyl 2,3-dihydrobenzofuran-6-carboxylate |
| IUPAC Name | methyl 2,3-dihydro-1-benzofuran-6-carboxylate |
| InChI | InChI=1S/C10H10O3/c1-12-10(11)8-3-2-7-4-5-13-9(7)6-8/h2-3,6H,4-5H2,1H3 |
| InChI Key | OVZHUVTYFSNMMA-UHFFFAOYSA-N |
| MDL Number | MFCD22536373 |
| Molecular Formula | C10H10O3 |
| Molecular Weight | 178.1846 |
| SMILES | O=C(C1=CC=C2CCOC2=C1)OC |
| Synonyms | Methyl 2,3-dihydrobenzofuran-6-carboxylate,
1083168-68-6,
2,3-dihydro-benzofuran-6-carboxylic acid methyl ester,
SCHEMBL3636916,
OVZHUVTYFSNMMA-UHFFFAOYSA-N,
ZINC95936168,
AKOS027440655,
CS-0045122,
methyl 2,3-dihydro-1-benzofuran-6-carboxylate,
Methyl 2,3-dihydrobenzo[b]furan-6-carboxylate,
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| Complexity | 202 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 178.063g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 178.187g/mol |
| Monoisotopic Mass | 178.063g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 35.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number