| CAS Number | 62577-95-1 |
| Catalog Number | AG00EKC6(AGN-PC-03B427) |
| Chemical Name | 4-Cyclobutoxy-benzoic acid tert-butyl ester |
| IUPAC Name | 4-cyclobutyloxybenzoic acid |
| InChI | InChI=1S/C11H12O3/c12-11(13)8-4-6-10(7-5-8)14-9-2-1-3-9/h4-7,9H,1-3H2,(H,12,13) |
| InChI Key | SBJGJSIFGXOICD-UHFFFAOYSA-N |
| MDL Number | MFCD16692374 |
| Molecular Formula | C11H12O3 |
| Molecular Weight | 192.2112 |
| SMILES | C1(CCC1)OC1=CC=C(C(=O)O)C=C1 |
| Synonyms | 4-cyclobutoxybenzoic acid,
62577-95-1,
4-cyclobutyloxybenzoic acid,
4-(Cyclobutyloxy)benzoic acid,
SCHEMBL11755572,
CTK2B6946,
DTXSID90614130,
SBJGJSIFGXOICD-UHFFFAOYSA-N,
Benzoic acid, 4-(cyclobutyloxy)-,
ZINC50912916,
AKOS011513030,
NE57885,
4-Cyclobutoxy-benzoic acid tert-butyl ester,
Z1276447230,
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| Complexity | 203 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 192.079g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 192.214g/mol |
| Monoisotopic Mass | 192.079g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 46.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
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Certificate of Analysis
Lot Number