| CAS Number | 3646-98-8 |
| Catalog Number | AG00C5E9(AGN-PC-0RC866) |
| Chemical Name | p-Cresol-2,3,5,6-d4,OD |
| IUPAC Name | 1,2,4,5-tetradeuterio-3-deuteriooxy-6-methylbenzene |
| InChI | InChI=1S/C7H8O/c1-6-2-4-7(8)5-3-6/h2-5,8H,1H3/i2D,3D,4D,5D/hD |
| InChI Key | IWDCLRJOBJJRNH-MDXQMYCFSA-N |
| MDL Number | MFCD01073984 |
| Molecular Formula | C7H8O |
| Molecular Weight | 108.1378 |
| SMILES | CC1=CC=C(C=C1)O |
| Synonyms | p-Cresol-2,3,5,6-d4,OD,
4-Methylphenol-2,3,5,6-d4,OD,
ACM3646988,
3646-98-8,
p-Cresol-2,3,5,6-d4,OD, 97 atom % D,
|
| Complexity | 62.8 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 113.089g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 8 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 5 |
| Molecular Weight | 113.171g/mol |
| Monoisotopic Mass | 113.089g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 20.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
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Certificate of Analysis
Lot Number