| CAS Number | 2574-42-7 |
| Catalog Number | AG00IL91(AGN-PC-00LO8W) |
| Chemical Name | Bicyclo[2.2.2]octane-1-methanol |
| IUPAC Name | 1-bicyclo[2.2.2]octanylmethanol |
| InChI | InChI=1S/C9H16O/c10-7-9-4-1-8(2-5-9)3-6-9/h8,10H,1-7H2 |
| InChI Key | HNFOXZBCUXJBJM-UHFFFAOYSA-N |
| MDL Number | MFCD00213771 |
| Molecular Formula | C9H16O |
| Molecular Weight | 140.2227 |
| SMILES | OCC1(CC2)CCC2CC1 |
| Synonyms | 2574-42-7,
bicyclo[2.2.2]octan-1-ylmethanol,
{bicyclo[2.2.2]octan-1-yl}methanol,
{BICYCLO[2.2.2]OCTAN-1-YLMETHANOL,
SCHEMBL6160871,
HNFOXZBCUXJBJM-UHFFFAOYSA-N,
Bicyclo[2.2.2]octane-1-methanol,
bicyclo-[2,2,2]oct-1-ylmethanol,
bicyclo[2.2.2]oct-1-yl-methanol,
MFCD00213771,
ZINC39225900,
AKOS037505706,
KS-000008U3,
AS-54057,
CS-0052947,
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| Complexity | 109 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 140.12g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 140.226g/mol |
| Monoisotopic Mass | 140.12g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 20.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number