| CAS Number | 58203-68-2 |
| Catalog Number | AG00EAYM(AGN-PC-0N7026) |
| Chemical Name | 2,2-Dimethylhex-5-Enoic Acid |
| IUPAC Name | 2,2-dimethylhex-5-enoic acid |
| InChI | InChI=1S/C8H14O2/c1-4-5-6-8(2,3)7(9)10/h4H,1,5-6H2,2-3H3,(H,9,10) |
| InChI Key | LUOVXOGESOTATJ-UHFFFAOYSA-N |
| MDL Number | MFCD02258574 |
| Molecular Formula | C8H14O2 |
| Molecular Weight | 142.1956 |
| SMILES | CC(C(O)=O)(CCC=C)C |
| Synonyms | 2,2-DIMETHYL-5-HEXENOIC ACID,
2,2-dimethylhex-5-enoic Acid,
58203-68-2,
SCHEMBL2292176,
5-Hexenoic acid,2,2-dimethyl-,
CTK5A8002,
DTXSID50441969,
LUOVXOGESOTATJ-UHFFFAOYSA-N,
5-Hexenoic acid, 2,2-dimethyl-,
ZINC2578827,
AKOS006277449,
SC-34922,
FT-0691338,
F2147-6455,
CID10582886,
|
| Complexity | 136 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 142.099g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 142.198g/mol |
| Monoisotopic Mass | 142.099g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number