| CAS Number | 93748-14-2 |
| Catalog Number | AG00IHS8(AGN-PC-0W3CQR) |
| Chemical Name | 2-(4-tert-Butylphenyl)-2-methylpropanoic acid |
| IUPAC Name | 2-(4-tert-butylphenyl)-2-methylpropanoic acid |
| InChI | InChI=1S/C14H20O2/c1-13(2,3)10-6-8-11(9-7-10)14(4,5)12(15)16/h6-9H,1-5H3,(H,15,16) |
| InChI Key | OHAKGGAAZZPXLJ-UHFFFAOYSA-N |
| MDL Number | MFCD09260840 |
| Molecular Formula | C14H20O2 |
| Molecular Weight | 220.3074 |
| SMILES | C(C)(C)(C)C1=CC=C(C=C1)C(C(=O)O)(C)C |
| Synonyms | 2-(4-tert-butylphenyl)-2-methylpropanoic acid,
93748-14-2,
2-(4-(tert-Butyl)phenyl)-2-methylpropanoic acid,
2-[4-(tert-butyl)phenyl]-2-methylpropanoic acid,
AC1P1XYS,
AG-205/01903059,
SCHEMBL4664901,
4-tert-butylphenylisobutyric acid,
DTXSID30429109,
OHAKGGAAZZPXLJ-UHFFFAOYSA-N,
ZINC7023338,
SBB096002,
AKOS010213747,
MCULE-9011238249,
NE47200,
QC-8464,
RP27267,
AJ-57081,
2-(4-tert-Butyl-phenyl)-2-methyl-propionic acid,
Z1483934701,
CID8167192,
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| Complexity | 252 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 220.146g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 220.312g/mol |
| Monoisotopic Mass | 220.146g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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