| CAS Number | 1344936-67-9 |
| Catalog Number | AG01C16P |
| Chemical Name | (1S)-1-(pyrimidin-4-yl)ethan-1-ol |
| IUPAC Name | (1S)-1-pyrimidin-4-ylethanol |
| InChI | InChI=1S/C6H8N2O/c1-5(9)6-2-3-7-4-8-6/h2-5,9H,1H3/t5-/m0/s1 |
| InChI Key | FCQKOPJZMPKYGR-YFKPBYRVSA-N |
| MDL Number | MFCD20400840 |
| Molecular Formula | C6H8N2O |
| Molecular Weight | 124.1405 |
| SMILES | C[C@@H](C1=NC=NC=C1)O |
| Synonyms | (1S)-1-(pyrimidin-4-yl)ethan-1-ol,
1344936-67-9,
ZINC69638560,
AKOS017508496,
|
| Complexity | 87.1 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 124.063663g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 124.14g/mol |
| Monoisotopic Mass | 124.063663g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 46Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number