| CAS Number | 33223-78-8 |
| Catalog Number | AG01AF32(AGN-PC-0D5OH1) |
| Chemical Name | 1-methyl-2,3-dihydro-1H-indene-1-carboxylic acid |
| IUPAC Name | 1-methyl-2,3-dihydroindene-1-carboxylic acid |
| InChI | InChI=1S/C11H12O2/c1-11(10(12)13)7-6-8-4-2-3-5-9(8)11/h2-5H,6-7H2,1H3,(H,12,13) |
| InChI Key | IJYVZCGPRUQYPX-UHFFFAOYSA-N |
| MDL Number | MFCD21198124 |
| Molecular Formula | C11H12O2 |
| Molecular Weight | 176.2118 |
| SMILES | O=C(C1(C)CCC2=C1C=CC=C2)O |
| Synonyms | 1-methyl-2,3-dihydro-1H-indene-1-carboxylic acid,
33223-78-8,
SCHEMBL1997077,
1-methyl-1-indanecarboxylic acid,
IJYVZCGPRUQYPX-UHFFFAOYSA-N,
AKOS014742678,
Z2510258108,
|
| Complexity | 224 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 176.084g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 176.215g/mol |
| Monoisotopic Mass | 176.084g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number