| CAS Number | 517907-46-9 |
| Catalog Number | AG00E80C(AGN-PC-0SB8VF) |
| Chemical Name | 1-(Pyridin-2-yl)but-3-yn-1-ol |
| IUPAC Name | 1-pyridin-2-ylbut-3-yn-1-ol |
| InChI | InChI=1S/C9H9NO/c1-2-5-9(11)8-6-3-4-7-10-8/h1,3-4,6-7,9,11H,5H2 |
| InChI Key | NVDVCNWQHHSEGQ-UHFFFAOYSA-N |
| MDL Number | MFCD16698288 |
| Molecular Formula | C9H9NO |
| Molecular Weight | 147.1739 |
| SMILES | OC(C1=NC=CC=C1)CC#C |
| Synonyms | 1-(pyridin-2-yl)but-3-yn-1-ol,
517907-46-9,
AC1Q777W,
SCHEMBL6282303,
NVDVCNWQHHSEGQ-UHFFFAOYSA-N,
AKOS011516619,
NE39563,
2-Pyridinemethanol,alpha-2-propynyl-(9CI),
EN300-66854,
2-Pyridinemethanol, alpha-2-propynyl- (9CI),
|
| Complexity | 158 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 147.068g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 147.177g/mol |
| Monoisotopic Mass | 147.068g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 33.1A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number