| CAS Number | 923233-31-2 |
| Catalog Number | AG019VJJ(AGN-PC-0WO8OK) |
| Chemical Name | 1-(3,5-dimethylphenyl)cyclopropane-1-carboxylic acid |
| IUPAC Name | 1-(3,5-dimethylphenyl)cyclopropane-1-carboxylic acid |
| InChI | InChI=1S/C12H14O2/c1-8-5-9(2)7-10(6-8)12(3-4-12)11(13)14/h5-7H,3-4H2,1-2H3,(H,13,14) |
| InChI Key | AEZQFJBQJQUQRA-UHFFFAOYSA-N |
| MDL Number | MFCD08445121 |
| Molecular Formula | C12H14O2 |
| Molecular Weight | 190.2384 |
| SMILES | CC=1C=C(C=C(C1)C)C1(CC1)C(=O)O |
| Synonyms | 1-(3,5-dimethylphenyl)cyclopropane-1-carboxylic acid,
923233-31-2,
1-(3,5-DIMETHYLPHENYL)CYCLOPROPANECARBOXYLIC ACID,
AC1Q2GVK,
CTK7I5721,
ZINC20285163,
AKOS009113434,
MCULE-2002550844,
NE55395,
EN300-45441,
1-(3,5-dimethylphenyl)cyclopropanecarboxylic acid, AldrichCPR,
Cyclopropanecarboxylic acid, 1-(3,5-dimethylphenyl),
|
| Complexity | 233 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 190.099g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 190.242g/mol |
| Monoisotopic Mass | 190.099g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number