| CAS Number | 93198-72-2 |
| Catalog Number | AG01A374(AGN-PC-0ONKAU) |
| Chemical Name | 2-(6-methoxy-2,3-dihydro-1-benzofuran-3-yl)acetic acid |
| IUPAC Name | 2-(6-methoxy-2,3-dihydro-1-benzofuran-3-yl)acetic acid |
| InChI | InChI=1S/C11H12O4/c1-14-8-2-3-9-7(4-11(12)13)6-15-10(9)5-8/h2-3,5,7H,4,6H2,1H3,(H,12,13) |
| InChI Key | UPXQPBXFERQVDB-UHFFFAOYSA-N |
| MDL Number | MFCD09842527 |
| Molecular Formula | C11H12O4 |
| Molecular Weight | 208.2106 |
| SMILES | COC1=CC2=C(C(CO2)CC(O)=O)C=C1 |
| Synonyms | 93198-72-2,
2-(6-methoxy-2,3-dihydro-1-benzofuran-3-yl)acetic acid,
(6-methoxy-2,3-dihydro-1-benzofuran-3-yl)acetic acid,
3-Benzofuranacetic acid, 2,3-dihydro-6-methoxy-,
SCHEMBL206775,
UPXQPBXFERQVDB-UHFFFAOYSA-N,
AKOS023491546,
MCULE-9286582715,
NE39049,
(6-methoxy-2,3-dihydro-1-benzofuran-3-yl) acetic acid,
Z1532540939,
|
| Complexity | 241 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 208.074g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 208.213g/mol |
| Monoisotopic Mass | 208.074g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 55.8A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number