| CAS Number | 97518-80-4 |
| Catalog Number | AG01BFL2(AGN-PC-0NH2M7) |
| Chemical Name | Benzyl 2,2-dimethyl-3-oxopropanoate |
| IUPAC Name | benzyl 2,2-dimethyl-3-oxopropanoate |
| InChI | InChI=1S/C12H14O3/c1-12(2,9-13)11(14)15-8-10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3 |
| InChI Key | GHICDGZYOXICST-UHFFFAOYSA-N |
| MDL Number | MFCD28118636 |
| Molecular Formula | C12H14O3 |
| Molecular Weight | 206.2378 |
| SMILES | O=C(OCC1=CC=CC=C1)C(C)(C)C=O |
| Synonyms | Benzyl 2,2-dimethyl-3-oxopropanoate,
97518-80-4,
Propanoic acid, 2-formyl-2-methyl-, phenylmethyl ester,
SCHEMBL5001960,
GHICDGZYOXICST-UHFFFAOYSA-N,
benzyl-2,2-dimethyl-3-oxopropanoate,
ZINC38325382,
FT-0722834,
A1-02940,
Propanoic acid, 2,2-dimethyl-3-oxo-, phenylmethyl ester,
benzyl 2-formyl-2-methylpropanoate,
Benzyl 2,2-dimethyl-3-oxo-propanoate,
CID11171763,
|
| Complexity | 227 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 206.094g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 206.241g/mol |
| Monoisotopic Mass | 206.094g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 43.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number