| CAS Number | 51953-02-7 |
| Catalog Number | AG01AIDW(AGN-PC-0SBSZR) |
| Chemical Name | 3-Cyclohexyl-2-methylpropanoic acid |
| IUPAC Name | 3-cyclohexyl-2-methylpropanoic acid |
| InChI | InChI=1S/C10H18O2/c1-8(10(11)12)7-9-5-3-2-4-6-9/h8-9H,2-7H2,1H3,(H,11,12) |
| InChI Key | SAOPJNFYPNUPSE-UHFFFAOYSA-N |
| MDL Number | MFCD12794494 |
| Molecular Formula | C10H18O2 |
| Molecular Weight | 170.2487 |
| SMILES | CC(C(O)=O)CC1CCCCC1 |
| Synonyms | 3-cyclohexyl-2-methylpropanoic acid,
51953-02-7,
3-cyclohexyl-2-methylpropionic acid,
(2R)-3-Cyclohexyl-2-methylpropanoic acid,
186900-67-4,
SCHEMBL5326239,
SAOPJNFYPNUPSE-UHFFFAOYSA-N,
2-Methyl-3-cyclohexylpropionic acid,
AKOS008145284,
MCULE-5593770209,
NE26969,
EN300-77525,
|
| Complexity | 148 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 170.131g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 170.252g/mol |
| Monoisotopic Mass | 170.131g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number