| CAS Number | 1276019-92-1 |
| Catalog Number | AG000X7C |
| Chemical Name | Isobutyl 2,4-dimethoxy-6-methylbenzoate |
| IUPAC Name | 2-methylpropyl 2,4-dimethoxy-6-methylbenzoate |
| InChI | InChI=1S/C14H20O4/c1-9(2)8-18-14(15)13-10(3)6-11(16-4)7-12(13)17-5/h6-7,9H,8H2,1-5H3 |
| InChI Key | YUSDRUUAZAXKNC-UHFFFAOYSA-N |
| MDL Number | MFCD28156594 |
| Molecular Formula | C14H20O4 |
| Molecular Weight | 252.3062 |
| SMILES | COc1cc(C)c(C(=O)OCC(C)C)c(OC)c1 |
| Synonyms | Isobutyl 2,4-dimethoxy-6-methylbenzoate,
1276019-92-1,
MFCD28156594,
CS-0059861,
Benzoic acid, 2,4-dimethoxy-6-methyl-, 2-methylpropyl ester,
BEnzoic acid,2,4-diMethoxy-6-Methyl-,2- Methylpropyl ester,
|
| Complexity | 265 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 252.136g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 252.31g/mol |
| Monoisotopic Mass | 252.136g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 44.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number