| CAS Number | 17359-46-5 |
| Catalog Number | AG001Z1G(AGN-PC-0WD69V) |
| Chemical Name | 2-Benzofurancarboxylic acid, 2,3-dihydro-7-methyl- |
| IUPAC Name | 7-methyl-2,3-dihydro-1-benzofuran-2-carboxylic acid |
| InChI | InChI=1S/C10H10O3/c1-6-3-2-4-7-5-8(10(11)12)13-9(6)7/h2-4,8H,5H2,1H3,(H,11,12) |
| InChI Key | NAWLSAKWLMBISU-UHFFFAOYSA-N |
| MDL Number | MFCD20642642 |
| Molecular Formula | C10H10O3 |
| Molecular Weight | 178.1846 |
| SMILES | CC1=C2C(CC(C(O)=O)O2)=CC=C1 |
| Synonyms | 17359-46-5,
7-Methyl-2,3-dihydrobenzofuran-2-carboxylic acid,
7-methyl-2,3-dihydro-benzofuran-2-carboxylic acid,
7-methyl-2,3-dihydro-1-benzofuran-2-carboxylic acid,
AKOS024261476,
2-Benzofurancarboxylic acid, 2,3-dihydro-7-methyl-,
Z2238934554,
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| Complexity | 214 |
| 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 | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 178.187g/mol |
| Monoisotopic Mass | 178.063g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 46.5A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
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Certificate of Analysis
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