| CAS Number | 211315-05-8 |
| Catalog Number | AG00C4JX |
| Chemical Name | 1-(4-tert-butylphenyl)cyclopropane-1-carboxylic acid |
| IUPAC Name | 1-(4-tert-butylphenyl)cyclopropane-1-carboxylic acid |
| InChI | InChI=1S/C14H18O2/c1-13(2,3)10-4-6-11(7-5-10)14(8-9-14)12(15)16/h4-7H,8-9H2,1-3H3,(H,15,16) |
| InChI Key | AYUZKGVLRKUOAP-UHFFFAOYSA-N |
| MDL Number | MFCD08442104 |
| Molecular Formula | C14H18O2 |
| Molecular Weight | 218.2915 |
| SMILES | C(C)(C)(C)C1=CC=C(C=C1)C1(CC1)C(=O)O |
| Synonyms | 1-(4-tert-butylphenyl)cyclopropanecarboxylic acid,
211315-05-8,
1-[4-(tert-butyl)phenyl]cyclopropanecarboxylic acid,
1-(4-tert-butylphenyl)cyclopropane-1-carboxylic acid,
AC1Q1LZC,
SCHEMBL5878139,
CTK7I5723,
STL433080,
ZINC12879827,
AKOS000112909,
MCULE-4622225354,
NCGC00334070-01,
SY169114,
ST45019611,
EN300-35218,
MFCD08442104 (95%),
AB01326605-02,
Z359419796,
1-(4-tert-Butylphenyl)cyclopropanecarboxylic acid, AldrichCPR,
|
| Complexity | 276 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 218.131g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 218.296g/mol |
| Monoisotopic Mass | 218.131g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number