| CAS Number | 123656-34-8 |
| Catalog Number | AG01C435 |
| Chemical Name | 2,2-Dimethyl-2,3-dihydrobenzofuran-5-carboxylic acid |
| IUPAC Name | 2,2-dimethyl-3H-1-benzofuran-5-carboxylic acid |
| InChI | InChI=1S/C11H12O3/c1-11(2)6-8-5-7(10(12)13)3-4-9(8)14-11/h3-5H,6H2,1-2H3,(H,12,13) |
| InChI Key | FDPMZTWJZIRHMU-UHFFFAOYSA-N |
| MDL Number | MFCD03069320 |
| Molecular Formula | C11H12O3 |
| Molecular Weight | 192.2112 |
| SMILES | CC1(OC2=C(C=C(C(O)=O)C=C2)C1)C |
| Synonyms | 123656-34-8,
2,2-dimethyl-2,3-dihydrobenzofuran-5-carboxylic acid,
2,2-dimethyl-2,3-dihydro-1-benzofuran-5-carboxylic acid,
2,2-dimethyl-2,3-dihydro-benzofuran-5-carboxylic acid,
SCHEMBL2812534,
FDPMZTWJZIRHMU-UHFFFAOYSA-N,
MFCD03069320,
ZINC10299150,
AKOS004115372,
2,3-Dihydro-2,2-dimethylbenzofuran-5-carboxylic acid,
Z274787918,
|
| Complexity | 247 |
| 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 | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 192.214g/mol |
| Monoisotopic Mass | 192.079g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 46.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
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Certificate of Analysis
Lot Number