| CAS Number | 5962-91-4 |
| Catalog Number | AG01B1IR(AGN-PC-0SSWK2) |
| Chemical Name | 3-Cyclohexyl-2-Oxopropanoic Acid |
| IUPAC Name | 3-cyclohexyl-2-oxopropanoic acid |
| InChI | InChI=1S/C9H14O3/c10-8(9(11)12)6-7-4-2-1-3-5-7/h7H,1-6H2,(H,11,12) |
| InChI Key | ZKQKNYMCJALGFK-UHFFFAOYSA-N |
| MDL Number | MFCD16706684 |
| Molecular Formula | C9H14O3 |
| Molecular Weight | 170.2057 |
| SMILES | O=C(O)C(CC1CCCCC1)=O |
| Synonyms | 3-cyclohexyl-2-oxopropanoic acid,
5962-91-4,
3-Cyclohexylpyruvic acid,
SCHEMBL3871573,
3-cyclohexyl-2-oxopropionic acid,
ZKQKNYMCJALGFK-UHFFFAOYSA-N,
ZINC51689950,
Cyclohexanepropanoic acid, alpha-oxo-,
AKOS011598257,
NE57886,
FT-0752950,
3-cyclohexyl-2-oxo-propanoic Acid,
CID11953639,
|
| Complexity | 180 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 170.094g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 170.208g/mol |
| Monoisotopic Mass | 170.094g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 54.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number