| CAS Number | 1525520-64-2 |
| Catalog Number | AG01C3XZ |
| Chemical Name | 2-Cyclopropyl-5-methylbenzoic Acid |
| IUPAC Name | 2-cyclopropyl-5-methylbenzoic acid |
| InChI | InChI=1S/C11H12O2/c1-7-2-5-9(8-3-4-8)10(6-7)11(12)13/h2,5-6,8H,3-4H2,1H3,(H,12,13) |
| InChI Key | PFDCGJCBLCCYJJ-UHFFFAOYSA-N |
| MDL Number | MFCD24050978 |
| Molecular Formula | C11H12O2 |
| Molecular Weight | 176.2118 |
| SMILES | C1(CC1)C1=C(C(=O)O)C=C(C=C1)C |
| Synonyms | 2-cyclopropyl-5-methylbenzoic acid,
1525520-64-2,
ZINC88027985,
AKOS019681367,
Z2372279480,
|
| Complexity | 208 |
| 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 | 2 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number