| CAS Number | 90560-25-1 |
| Catalog Number | AG01BXY9(AGN-PC-0WGG1F) |
| Chemical Name | 1,3-Dihydro-2-benzofuran-4-carboxylic acid |
| IUPAC Name | 1,3-dihydro-2-benzofuran-4-carboxylic acid |
| InChI | InChI=1S/C9H8O3/c10-9(11)7-3-1-2-6-4-12-5-8(6)7/h1-3H,4-5H2,(H,10,11) |
| InChI Key | QPJIFIXNXUICBK-UHFFFAOYSA-N |
| MDL Number | MFCD20642221 |
| Molecular Formula | C9H8O3 |
| Molecular Weight | 164.1580 |
| SMILES | C1(C=CC=C2COCC=12)C(O)=O |
| Synonyms | 1,3-DIHYDRO-2-BENZOFURAN-4-CARBOXYLIC ACID,
90560-25-1,
ZINC82850803,
AKOS022906532,
|
| Complexity | 190 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 164.047g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 164.16g/mol |
| Monoisotopic Mass | 164.047g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 46.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number