| CAS Number | 63842-87-5 |
| Catalog Number | AG003609(AGN-PC-00NAFO) |
| Chemical Name | 2-butoxysuccinic acid, dibutylester |
| IUPAC Name | dibutyl 2-butoxybutanedioate |
| InChI | InChI=1S/C16H30O5/c1-4-7-10-19-14(16(18)21-12-9-6-3)13-15(17)20-11-8-5-2/h14H,4-13H2,1-3H3 |
| InChI Key | GGAWXQQNQGESAW-UHFFFAOYSA-N |
| MDL Number | MFCD30475376 |
| Molecular Formula | C16H30O5 |
| Molecular Weight | 302.4064 |
| SMILES | O=C(OCCCC)C(OCCCC)CC(OCCCC)=O |
| Synonyms | 63842-87-5,
Dibutyl 2-butoxysuccinate,
2-butoxysuccinic acid, dibutylester,
Butanedioic acid, butoxy-, dibutyl ester,
Dibutyl 2-butoxybutanedioate,
SCHEMBL9622120,
CTK1I5800,
DTXSID10544980,
2-Butoxysuccinic acid dibutylester,
MFCD30475376,
AKOS028109864,
KS-000000B5,
butoxy-succinic acid dibutyl ester,
Butanedioicacid,butoxy-,dibutylester,
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| Complexity | 278 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 302.209g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 302.411g/mol |
| Monoisotopic Mass | 302.209g/mol |
| Rotatable Bond Count | 15 |
| Topological Polar Surface Area | 61.8A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.6 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number