| CAS Number | 66130-41-4 |
| Catalog Number | AG00FXGB(AGN-PC-04VXRJ) |
| Chemical Name | 1-methyl-1H-indene-2-carboxylic acid |
| IUPAC Name | 1-methyl-1H-indene-2-carboxylic acid |
| InChI | InChI=1S/C11H10O2/c1-7-9-5-3-2-4-8(9)6-10(7)11(12)13/h2-7H,1H3,(H,12,13) |
| InChI Key | FCYXPVYPQBAIJT-UHFFFAOYSA-N |
| MDL Number | MFCD00044428 |
| Molecular Formula | C11H10O2 |
| Molecular Weight | 174.1959 |
| SMILES | CC1C2=C(C=CC=C2)C=C1C(O)=O |
| Synonyms | 1-methyl-1H-indene-2-carboxylic acid,
66130-41-4,
1-methyl-2-carboxyindene,
SCHEMBL3312303,
DTXSID90496357,
FCYXPVYPQBAIJT-UHFFFAOYSA-N,
AKOS015964542,
1-METHYLINDENE-2-CARBOXLIC ACID,
1H-Indene-2-carboxylic acid, 1-methyl-,
FT-0694655,
|
| Complexity | 255 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 174.068g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 174.199g/mol |
| Monoisotopic Mass | 174.068g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number