| CAS Number | 5702-99-8 |
| Catalog Number | AG00EF62(AGN-PC-00H11K) |
| Chemical Name | 2-ISOBUTYL SUCCINIC ACID |
| IUPAC Name | 2-(2-methylpropyl)butanedioic acid |
| InChI | InChI=1S/C8H14O4/c1-5(2)3-6(8(11)12)4-7(9)10/h5-6H,3-4H2,1-2H3,(H,9,10)(H,11,12) |
| InChI Key | PIYZBBVETVKTQT-UHFFFAOYSA-N |
| MDL Number | MFCD02258493 |
| Molecular Formula | C8H14O4 |
| Molecular Weight | 174.1944 |
| SMILES | CC(CC(C(=O)O)CC(=O)O)C |
| Synonyms | 2-(2-methylpropyl)butanedioic Acid,
2-isobutylsuccinic acid,
5702-99-8,
(S)-2-Isobutylsuccinic acid,
Isobutylbernsteinsaure,
AC1MHSVH,
SCHEMBL307076,
2-ISOBUTYL SUCCINIC ACID,
PIYZBBVETVKTQT-UHFFFAOYSA-N,
AKOS006276595,
Pregabalin Diacid Impurity,
CID3031825,
63163-11-1,
|
| Complexity | 174 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 174.089g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 174.196g/mol |
| Monoisotopic Mass | 174.089g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 74.6A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number