| CAS Number | 2612-32-0 |
| Catalog Number | AG01CAC3(AGN-PC-0JKC7L) |
| Chemical Name | 2-Cyclohexylpropane-1,3-diol |
| IUPAC Name | 2-cyclohexylpropane-1,3-diol |
| InChI | InChI=1S/C9H18O2/c10-6-9(7-11)8-4-2-1-3-5-8/h8-11H,1-7H2 |
| InChI Key | CMNVSZHIHFLQFS-UHFFFAOYSA-N |
| MDL Number | MFCD00458015 |
| Molecular Formula | C9H18O2 |
| Molecular Weight | 158.2380 |
| SMILES | OCC(C1CCCCC1)CO |
| UNII | SFI58123IQ |
| Synonyms | 2-Cyclohexyl-1,3-propanediol,
2-cyclohexylpropane-1,3-diol,
2612-32-0,
UNII-SFI58123IQ,
BRN 2072291,
1,3-Propanediol, 2-cyclohexyl-,
SFI58123IQ,
AC1L25L5,
SCHEMBL1129491,
2-cyclohexyl 1,3-pro-panediol,
DTXSID60180756,
ZINC1504590,
LS-120300,
CID15293,
C9-H18-O2,
|
| Complexity | 93.7 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 158.131g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 158.241g/mol |
| Monoisotopic Mass | 158.131g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 40.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number