| CAS Number | 223907-48-0 |
| Catalog Number | AG00IVQE(AGN-PC-0WB2M3) |
| Chemical Name | Pentyl syringate |
| IUPAC Name | pentyl 4-hydroxy-3,5-dimethoxybenzoate |
| InChI | InChI=1S/C14H20O5/c1-4-5-6-7-19-14(16)10-8-11(17-2)13(15)12(9-10)18-3/h8-9,15H,4-7H2,1-3H3 |
| InChI Key | FLKLIWJSLMAHHZ-UHFFFAOYSA-N |
| MDL Number | MFCD27980619 |
| Molecular Formula | C14H20O5 |
| Molecular Weight | 268.3056 |
| SMILES | O=C(OCCCCC)C1(=CC(OC)=C(O)C(=C1)OC) |
| Synonyms | Pentyl syringate,
223907-48-0,
pentyl 4-hydroxy-3,5-dimethoxybenzoate,
KS-00002AXJ,
ZINC33979795,
AKOS025393525,
RS-1032,
CID9838262,
Pentyl 4-hydroxy-3,5-dimethoxy-benzoate,
|
| Complexity | 255 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 268.131g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 268.309g/mol |
| Monoisotopic Mass | 268.131g/mol |
| Rotatable Bond Count | 8 |
| Topological Polar Surface Area | 65A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number