| CAS Number | 174498-06-7 |
| Catalog Number | AG001ZP3(AGN-PC-0WALOU) |
| Chemical Name | Butanoic acid, 3-oxo-, 1,1'-(1,3-propanediyl) ester |
| IUPAC Name | 3-(3-oxobutanoyloxy)propyl 3-oxobutanoate |
| InChI | InChI=1S/C11H16O6/c1-8(12)6-10(14)16-4-3-5-17-11(15)7-9(2)13/h3-7H2,1-2H3 |
| InChI Key | LIDCCJYZVQPSGS-UHFFFAOYSA-N |
| MDL Number | MFCD30478686 |
| Molecular Formula | C11H16O6 |
| Molecular Weight | 244.2411 |
| SMILES | CC(CC(OCCCOC(CC(C)=O)=O)=O)=O |
| Synonyms | 174498-06-7,
Propane-1,3-diyl bis(3-oxobutanoate),
3-Oxobutanoic acid propane-1,3-diyl ester,
SCHEMBL16411225,
MFCD30478686,
AKOS030228687,
KS-000001K7,
Butanoic acid, 3-oxo-, 1,1'-(1,3-propanediyl) ester,
Propane-1,3- diylbis(3-oxobutanoate,
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| Complexity | 277 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 244.095g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 244.243g/mol |
| Monoisotopic Mass | 244.095g/mol |
| Rotatable Bond Count | 10 |
| Topological Polar Surface Area | 86.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number