| CAS Number | 75017-17-3 |
| Catalog Number | AG00G8AS(AGN-PC-0NJS62) |
| Chemical Name | (3,3-Dimethylcyclobutyl)methanol |
| IUPAC Name | (3,3-dimethylcyclobutyl)methanol |
| InChI | InChI=1S/C7H14O/c1-7(2)3-6(4-7)5-8/h6,8H,3-5H2,1-2H3 |
| InChI Key | XEELTMBMTSMJSR-UHFFFAOYSA-N |
| MDL Number | MFCD17170398 |
| Molecular Formula | C7H14O |
| Molecular Weight | 114.1855 |
| SMILES | OCC1CC(C)(C)C1 |
| Synonyms | (3,3-dimethylcyclobutyl)methanol,
75017-17-3,
3,3-DIMETHYLCYCLOBUTYLMETHANOL,
SCHEMBL17049037,
DTXSID10505894,
XEELTMBMTSMJSR-UHFFFAOYSA-N,
3,3-Dimethylcyclobutan-1-methanol,
KS-000004DI,
MFCD17170398,
ZINC38540889,
AKOS016344767,
SB11419,
AS-51211,
EN001428,
A9579,
BB 0262903,
F2147-1653,
Z2010051983,
|
| Complexity | 78.4 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 114.104g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 8 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 114.188g/mol |
| Monoisotopic Mass | 114.104g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 20.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
GHS Hazard and Precautionary Statements
| Symbol: |  |
|
Hazard Class
|
3
|
|
Hazard statements
|
H225
|
|
Packing Group
|
Ⅲ
|
|
Precautionary statements
|
P210-P273-P243-P403
|
|
UN Code
|
UN 1993
|
Certificate of Analysis
Lot Number