| CAS Number | 1033196-18-7 |
| Catalog Number | AG01C44O |
| Chemical Name | 7-Methyl-1-benzofuran-3-carboxylic acid |
| IUPAC Name | 7-methyl-1-benzofuran-3-carboxylic acid |
| InChI | InChI=1S/C10H8O3/c1-6-3-2-4-7-8(10(11)12)5-13-9(6)7/h2-5H,1H3,(H,11,12) |
| InChI Key | OJZFKUVTMWYITA-UHFFFAOYSA-N |
| MDL Number | MFCD17010639 |
| Molecular Formula | C10H8O3 |
| Molecular Weight | 176.1687 |
| SMILES | CC1=C2C(C(C(O)=O)=CO2)=CC=C1 |
| Synonyms | 7-methyl-1-benzofuran-3-carboxylic acid,
1033196-18-7,
ZINC15017032,
AKOS000360128,
Z2379087815,
|
| Complexity | 214 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 176.047g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 176.171g/mol |
| Monoisotopic Mass | 176.047g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 50.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number