| CAS Number | 1261952-35-5 |
| Catalog Number | AG009WSC(AGN-PC-0WNPOD) |
| Chemical Name | 2-(Furan-2-YL)-6-methylbenzoic acid |
| IUPAC Name | 2-(furan-2-yl)-6-methylbenzoic acid |
| InChI | InChI=1S/C12H10O3/c1-8-4-2-5-9(11(8)12(13)14)10-6-3-7-15-10/h2-7H,1H3,(H,13,14) |
| InChI Key | FGTLHPOMMGGQIC-UHFFFAOYSA-N |
| MDL Number | MFCD18318820 |
| Molecular Formula | C12H10O3 |
| Molecular Weight | 202.2060 |
| SMILES | OC(=O)c1c(C)cccc1c1ccco1 |
| Synonyms | 2-(FURAN-2-YL)-6-METHYLBENZOIC ACID,
1261952-35-5,
DTXSID10688499,
MFCD18318820,
ZINC65349370,
AKOS026672635,
K-3090,
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| Complexity | 239 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 202.063g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 202.209g/mol |
| Monoisotopic Mass | 202.063g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 50.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
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Certificate of Analysis
Lot Number