| CAS Number | 1909308-82-2 |
| Catalog Number | AG01C2BN |
| Chemical Name | 3-[(tert-Butoxy)carbonyl]-5-methylbenzoic acid |
| IUPAC Name | 3-methyl-5-[(2-methylpropan-2-yl)oxycarbonyl]benzoic acid |
| InChI | InChI=1S/C13H16O4/c1-8-5-9(11(14)15)7-10(6-8)12(16)17-13(2,3)4/h5-7H,1-4H3,(H,14,15) |
| InChI Key | CJTACSGWVINDBI-UHFFFAOYSA-N |
| MDL Number | MFCD29054942 |
| Molecular Formula | C13H16O4 |
| Molecular Weight | 236.2637 |
| SMILES | CC1=CC(C(OC(C)(C)C)=O)=CC(C(O)=O)=C1 |
| Synonyms | 3-[(tert-butoxy)carbonyl]-5-methylbenzoic acid,
1909308-82-2,
AKOS033854715,
ZINC299805193,
Z2293609375,
|
| Complexity | 303 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 236.105g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 236.267g/mol |
| Monoisotopic Mass | 236.105g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 63.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number