| CAS Number | 1218150-03-8 |
| Catalog Number | AG01AIUM(AGN-PC-0WOCAB) |
| Chemical Name | 2-[(3-methylcyclohexyl)oxy]propanoic acid |
| IUPAC Name | 2-(3-methylcyclohexyl)oxypropanoic acid |
| InChI | InChI=1S/C10H18O3/c1-7-4-3-5-9(6-7)13-8(2)10(11)12/h7-9H,3-6H2,1-2H3,(H,11,12) |
| InChI Key | RTRWVORBUYECTG-UHFFFAOYSA-N |
| MDL Number | MFCD10690415 |
| Molecular Formula | C10H18O3 |
| Molecular Weight | 186.2481 |
| SMILES | CC(C(O)=O)OC1CC(C)CCC1 |
| Synonyms | 2-[(3-methylcyclohexyl)oxy]propanoic acid,
1218150-03-8,
2-(3-Methylcyclohexyloxy)propanoic acid,
MFCD10690415,
AKOS009256545,
MCULE-4198678617,
NE39516,
EN300-79069,
Z1270348106,
|
| Complexity | 179 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 186.126g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 186.251g/mol |
| Monoisotopic Mass | 186.126g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 46.5A^2 |
| Undefined Atom Stereocenter Count | 3 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number