| CAS Number | 56410-30-1 |
| Catalog Number | AG0039CS(AGN-PC-0OCDAA) |
| Chemical Name | benzyl 2,4-dihydroxy-3,6-dimethylbenzoate |
| IUPAC Name | benzyl 2,4-dihydroxy-3,6-dimethylbenzoate |
| InChI | InChI=1S/C16H16O4/c1-10-8-13(17)11(2)15(18)14(10)16(19)20-9-12-6-4-3-5-7-12/h3-8,17-18H,9H2,1-2H3 |
| InChI Key | VSKQSANOBRVUSO-UHFFFAOYSA-N |
| MDL Number | MFCD27920982 |
| Molecular Formula | C16H16O4 |
| Molecular Weight | 272.2958 |
| SMILES | OC1=C(C(=O)OCC2=CC=CC=C2)C(=CC(=C1C)O)C |
| Synonyms | benzyl 2,4-dihydroxy-3,6-dimethylbenzoate,
56410-30-1,
MFCD27920982,
AKOS030228098,
KS-00000025,
|
| Complexity | 324 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 272.105g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 272.3g/mol |
| Monoisotopic Mass | 272.105g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 66.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.8 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number