| CAS Number | 1152583-23-7 |
| Catalog Number | AG01A8HH |
| Chemical Name | 3-methyl-5H,6H,7H-indeno[5,6-b]furan-2-carboxylic acid |
| IUPAC Name | 3-methyl-6,7-dihydro-5H-cyclopenta[f][1]benzofuran-2-carboxylic acid |
| InChI | InChI=1S/C13H12O3/c1-7-10-5-8-3-2-4-9(8)6-11(10)16-12(7)13(14)15/h5-6H,2-4H2,1H3,(H,14,15) |
| InChI Key | GIVVPLHXRBEWET-UHFFFAOYSA-N |
| MDL Number | MFCD11104765 |
| Molecular Formula | C13H12O3 |
| Molecular Weight | 216.2326 |
| SMILES | CC1C2=C(C=C3C(=C2)CCC3)OC=1C(O)=O |
| Synonyms | 3-methyl-5H,6H,7H-indeno[5,6-b]furan-2-carboxylic acid,
1152583-23-7,
AC1Q2G9E,
MFCD11104765,
ZINC34974978,
AKOS009328864,
MCULE-8487061971,
NE59338,
AS-44013,
EN300-61624,
Z1270387273,
|
| Complexity | 302 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 216.079g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 216.236g/mol |
| Monoisotopic Mass | 216.079g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 50.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number