| CAS Number | 1457-39-2 |
| Catalog Number | AG001DC1(AGN-PC-0KO5QS) |
| Chemical Name | Butanedioic acid, 2-butyl- |
| IUPAC Name | 2-butylbutanedioic acid |
| InChI | InChI=1S/C8H14O4/c1-2-3-4-6(8(11)12)5-7(9)10/h6H,2-5H2,1H3,(H,9,10)(H,11,12) |
| InChI Key | WOPLHDNLGYOSPG-UHFFFAOYSA-N |
| MDL Number | MFCD00597935 |
| Molecular Formula | C8H14O4 |
| Molecular Weight | 174.1944 |
| SMILES | C(CCC)C(C(=O)O)CC(=O)O |
| Synonyms | 2-butylbutanedioic acid,
1457-39-2,
2-BUTYLSUCCINIC ACID,
n-butylsuccinic acid,
butylsuccinic acid,
AC1MHSVB,
Butanedioic acid,2-butyl-,
Butanedioic acid, 2-butyl-,
SCHEMBL306773,
CTK4C4674,
DTXSID30388742,
WOPLHDNLGYOSPG-UHFFFAOYSA-N,
AKOS006271683,
2-BUTYLSUCCINICACID,
|
| Complexity | 164 |
| 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 | 6 |
| Topological Polar Surface Area | 74.6A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number