| CAS Number | 1351763-57-9 |
| Catalog Number | AG01BCCC |
| Chemical Name | 2-(Pyrimidin-2-yl)propan-2-ol |
| IUPAC Name | 2-pyrimidin-2-ylpropan-2-ol |
| InChI | InChI=1S/C7H10N2O/c1-7(2,10)6-8-4-3-5-9-6/h3-5,10H,1-2H3 |
| InChI Key | ZNZRVANGLTZTCR-UHFFFAOYSA-N |
| MDL Number | MFCD26679924 |
| Molecular Formula | C7H10N2O |
| Molecular Weight | 138.1671 |
| SMILES | N1=C(N=CC=C1)C(C)(C)O |
| Synonyms | 2-(pyrimidin-2-yl)propan-2-ol,
1351763-57-9,
SCHEMBL658285,
ZINC75845946,
2-Pyrimidinemethanol, ?,?-dimethyl-,
AKOS023097451,
SC-87508,
2-Pyrimidinemethanol, alpha,alpha-dimethyl-,
Z2168515541,
|
| Complexity | 108 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 138.079g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 138.17g/mol |
| Monoisotopic Mass | 138.079g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 46A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.1 |
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Certificate of Analysis
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