| CAS Number | 926247-18-9 |
| Catalog Number | AG01A88G |
| Chemical Name | 1-(4-Tert-butylphenyl)cyclobutane-1-carboxylic acid |
| IUPAC Name | 1-(4-tert-butylphenyl)cyclobutane-1-carboxylic acid |
| InChI | InChI=1S/C15H20O2/c1-14(2,3)11-5-7-12(8-6-11)15(13(16)17)9-4-10-15/h5-8H,4,9-10H2,1-3H3,(H,16,17) |
| InChI Key | FNPWYYZPIAIQJD-UHFFFAOYSA-N |
| MDL Number | MFCD08443546 |
| Molecular Formula | C15H20O2 |
| Molecular Weight | 232.3181 |
| SMILES | CC(C1=CC=C(C2(C(O)=O)CCC2)C=C1)(C)C |
| Synonyms | 1-(4-tert-butylphenyl)cyclobutane-1-carboxylic acid,
926247-18-9,
1-(4-Tert-butylphenyl)cyclobutanecarboxylic acid,
1-[4-(tert-Butyl)phenyl]cyclobutanecarboxylic Acid,
AC1Q1LZD,
CTK7I5756,
ZINC21953243,
AKOS000126316,
MCULE-6079387583,
NE50300,
SY181900,
EN300-61023,
MFCD08443546 (95%),
Z1259155880,
|
| Complexity | 289 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 232.146g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 232.323g/mol |
| Monoisotopic Mass | 232.146g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number