| CAS Number | 37497-25-9 |
| Catalog Number | AG0079KT(AGN-PC-00N3KG) |
| Chemical Name | Dimethyl (2-oxononyl)phosphonate |
| IUPAC Name | 1-dimethoxyphosphorylnonan-2-one |
| InChI | InChI=1S/C11H23O4P/c1-4-5-6-7-8-9-11(12)10-16(13,14-2)15-3/h4-10H2,1-3H3 |
| InChI Key | CVMKPYXSQWWZFH-UHFFFAOYSA-N |
| MDL Number | MFCD27977874 |
| Molecular Formula | C11H23O4P |
| Molecular Weight | 250.2717 |
| SMILES | O=C(CP(OC)(OC)=O)CCCCCCC |
| Synonyms | dimethyl (2-oxononyl)phosphonate,
37497-25-9,
Phosphonic acid, (2-oxononyl)-, dimethyl ester,
SCHEMBL7563843,
CTK1B5615,
DTXSID60543968,
MFCD27977874,
ZINC44963221,
AKOS030255363,
FT-0667502,
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| Complexity | 232 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 250.133g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 250.275g/mol |
| Monoisotopic Mass | 250.133g/mol |
| Rotatable Bond Count | 10 |
| Topological Polar Surface Area | 52.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
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Certificate of Analysis
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