| CAS Number | 19945-56-3 |
| Catalog Number | AG01B2H1(AGN-PC-0O6WXH) |
| Chemical Name | methyl 4-(diethyl phosphono)-3-methylbut-2-enoate |
| IUPAC Name | methyl 4-diethoxyphosphoryl-3-methylbut-2-enoate |
| InChI | InChI=1S/C10H19O5P/c1-5-14-16(12,15-6-2)8-9(3)7-10(11)13-4/h7H,5-6,8H2,1-4H3 |
| InChI Key | UBBRMCHLUWPZKH-UHFFFAOYSA-N |
| MDL Number | MFCD25960703 |
| Molecular Formula | C10H19O5P |
| Molecular Weight | 250.2286 |
| SMILES | CCOP(OCC)(CC(C)=CC(OC)=O)=O |
| Synonyms | 4834-02-0,
methyl 4-(diethyl phosphono)-3-methylbut-2-enoate,
19945-56-3,
SCHEMBL9246311,
CTK1D1286,
DTXSID40710712,
METHYL 4-(DIETHOXYPHOSPHORYL)-3-METHYLBUT-2-ENOATE,
2-Butenoic acid, 4-(diethoxyphosphinyl)-3-methyl-, methyl ester,
methyl 4-diethoxyphosphoryl-3-methylbut-2-enoate,
|
| Complexity | 288 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 250.097g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 250.231g/mol |
| Monoisotopic Mass | 250.097g/mol |
| Rotatable Bond Count | 8 |
| Topological Polar Surface Area | 61.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 1 |
| XLogP3 | 1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number