| CAS Number | 1225505-29-2 |
| Catalog Number | AG019Z1J |
| Chemical Name | 3-(3-Chlorophenyl)-2,2-dimethylpropanoic acid |
| IUPAC Name | 3-(3-chlorophenyl)-2,2-dimethylpropanoic acid |
| InChI | InChI=1S/C11H13ClO2/c1-11(2,10(13)14)7-8-4-3-5-9(12)6-8/h3-6H,7H2,1-2H3,(H,13,14) |
| InChI Key | LAMMJZDDAHXYRQ-UHFFFAOYSA-N |
| MDL Number | MFCD16308464 |
| Molecular Formula | C11H13ClO2 |
| Molecular Weight | 212.6727 |
| SMILES | ClC=1C=C(C=CC1)CC(C(=O)O)(C)C |
| Synonyms | 3-(3-chlorophenyl)-2,2-dimethylpropanoic acid,
1225505-29-2,
ZINC41226478,
AKOS012031707,
MCULE-7017661500,
NE15972,
F2147-6202,
Z1374778742,
|
| Complexity | 213 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 212.06g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 212.673g/mol |
| Monoisotopic Mass | 212.06g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number