| CAS Number | 377085-56-8 |
| Catalog Number | AG00I7FJ |
| Chemical Name | Amyl 4-Carboxyphenyl Carbonate |
| IUPAC Name | 4-pentoxycarbonyloxybenzoic acid |
| InChI | InChI=1S/C13H16O5/c1-2-3-4-9-17-13(16)18-11-7-5-10(6-8-11)12(14)15/h5-8H,2-4,9H2,1H3,(H,14,15) |
| InChI Key | RMIZZENBDILCRU-UHFFFAOYSA-N |
| MDL Number | MFCD00059647 |
| Molecular Formula | C13H16O5 |
| Molecular Weight | 252.2631 |
| SMILES | CCCCCOC(=O)OC1=CC=C(C=C1)C(O)=O |
| Synonyms | Amyl 4-Carboxyphenyl Carbonate,
377085-56-8,
ACMC-20aj5g,
p-Carboxyphenylamyl=carbonate,
4-Carboxyphenyl Amyl Carbonate,
SCHEMBL3088283,
4-Carboxyphenyl Pentyl Carbonate,
CTK8C5293,
4-Carboxyphenyl n-Amyl carbonate,
ZINC2527904,
MFCD00059647,
TC-164491,
c0772,
|
| Complexity | 269 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 252.1g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 252.266g/mol |
| Monoisotopic Mass | 252.1g/mol |
| Rotatable Bond Count | 8 |
| Topological Polar Surface Area | 72.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number