| CAS Number | 31080-40-7 |
| Catalog Number | AG019S6M |
| Chemical Name | 2-Methyl-2-propyloctanoic acid |
| IUPAC Name | 2-methyl-2-propyloctanoic acid |
| InChI | InChI=1S/C12H24O2/c1-4-6-7-8-10-12(3,9-5-2)11(13)14/h4-10H2,1-3H3,(H,13,14) |
| InChI Key | UWLMCYVBNXGUFL-UHFFFAOYSA-N |
| MDL Number | MFCD16855660 |
| Molecular Formula | C12H24O2 |
| Molecular Weight | 200.3178 |
| SMILES | CCCCCCC(C(O)=O)(CCC)C |
| Synonyms | 2-methyl-2-propyloctanoic acid,
31080-40-7,
SCHEMBL11594276,
AKOS012031738,
MCULE-9122814153,
NE16127,
EN300-91971,
Z1267846902,
|
| Complexity | 166 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 200.178g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 200.322g/mol |
| Monoisotopic Mass | 200.178g/mol |
| Rotatable Bond Count | 8 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number