| CAS Number | 89059-34-7 |
| Catalog Number | AG00GV9P(AGN-PC-0VOFIW) |
| Chemical Name | PHENOL (13C6) |
| IUPAC Name | (1,2,3,4,5,6-13C6)cyclohexatrienol |
| InChI | InChI=1S/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H/i1+1,2+1,3+1,4+1,5+1,6+1 |
| InChI Key | ISWSIDIOOBJBQZ-IDEBNGHGSA-N |
| MDL Number | MFCD00145093 |
| Molecular Formula | C6H6O |
| Molecular Weight | 100.0672 |
| SMILES | O[13C]1=[13CH][13CH]=[13CH][13CH]=[13CH]1 |
| Synonyms | Phenol-13C6,
89059-34-7,
Benzenol-13C6,
Hydrozybenzene-13C6,
SCHEMBL14134295,
DTXSID90480397,
Phenol-13C6, 99 atom % 13C,
NSC 36808-13C6,
FT-0673707,
phenol,
Phenol 13C6,
CS-T-60353,
|
| Complexity | 46.1 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 100.062g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 7 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 6 |
| Molecular Weight | 100.067g/mol |
| Monoisotopic Mass | 100.062g/mol |
| Rotatable Bond Count | 0 |
| 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 statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number