| CAS Number | 1218052-49-3 |
| Catalog Number | AG019SRZ(AGN-PC-0WO5PX) |
| Chemical Name | 2-[(3-methylcyclohexyl)oxy]butanoic acid |
| IUPAC Name | 2-(3-methylcyclohexyl)oxybutanoic acid |
| InChI | InChI=1S/C11H20O3/c1-3-10(11(12)13)14-9-6-4-5-8(2)7-9/h8-10H,3-7H2,1-2H3,(H,12,13) |
| InChI Key | TWBGRXXJTOHCNT-UHFFFAOYSA-N |
| MDL Number | MFCD12067208 |
| Molecular Formula | C11H20O3 |
| Molecular Weight | 200.2747 |
| SMILES | CCC(C(O)=O)OC1CC(C)CCC1 |
| Synonyms | 2-[(3-methylcyclohexyl)oxy]butanoic acid,
1218052-49-3,
SCHEMBL11786040,
AKOS009995632,
MCULE-9933251634,
NE33951,
Z1270650051,
2-[(3-methylcyclohexyl)oxy]butanoic acid, Mixture of diastereomers,
|
| Complexity | 191 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 200.141g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 200.278g/mol |
| Monoisotopic Mass | 200.141g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 46.5A^2 |
| Undefined Atom Stereocenter Count | 3 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number