| CAS Number | 902526-55-0 |
| Catalog Number | AG01B9O2 |
| Chemical Name | diethyl [(2,6-dimethylphenyl)methyl]phosphonate |
| IUPAC Name | 2-(diethoxyphosphorylmethyl)-1,3-dimethylbenzene |
| InChI | InChI=1S/C13H21O3P/c1-5-15-17(14,16-6-2)10-13-11(3)8-7-9-12(13)4/h7-9H,5-6,10H2,1-4H3 |
| InChI Key | YJKGTPLNMBMATG-UHFFFAOYSA-N |
| MDL Number | MFCD28383940 |
| Molecular Formula | C13H21O3P |
| Molecular Weight | 256.2778 |
| SMILES | CCOP(OCC)(CC1=C(C)C=CC=C1C)=O |
| Synonyms | diethyl [(2,6-dimethylphenyl)methyl]phosphonate,
902526-55-0,
ZINC238857223,
|
| Complexity | 247 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 256.123g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 256.282g/mol |
| Monoisotopic Mass | 256.123g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 35.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number