| CAS Number | 1087659-28-6 |
| Catalog Number | AG0090VX(AGN-PC-0WANXQ) |
| Chemical Name | 3-(5,6-Dimethoxypyridin-2-yl)prop-2-yn-1-ol |
| IUPAC Name | 3-(5,6-dimethoxypyridin-2-yl)prop-2-yn-1-ol |
| InChI | InChI=1S/C10H11NO3/c1-13-9-6-5-8(4-3-7-12)11-10(9)14-2/h5-6,12H,7H2,1-2H3 |
| InChI Key | OYBROCBIXNDTLK-UHFFFAOYSA-N |
| MDL Number | MFCD11857639 |
| Molecular Formula | C10H11NO3 |
| Molecular Weight | 193.1992 |
| SMILES | COc1nc(ccc1OC)C#CCO |
| Synonyms | 3-(5,6-Dimethoxypyridin-2-yl)prop-2-yn-1-ol,
1087659-28-6,
AC1Q472C,
CTK7B2001,
DTXSID80670144,
MFCD11857639,
ZINC35270376,
AKOS006344306,
RTR-057495,
TR-057495,
CS-0091275,
A-5934,
3-(5,6-Dimethoxypyridin-2-yl)prop-2-yn-1-ol, AldrichCPR,
|
| Complexity | 230 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 193.074g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 193.202g/mol |
| Monoisotopic Mass | 193.074g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 51.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number