| CAS Number | 90874-88-7 |
| Catalog Number | AG01C1NJ(AGN-PC-00NS7T) |
| Chemical Name | 5-(pyridin-3-yl)pentan-2-one |
| IUPAC Name | 5-pyridin-3-ylpentan-2-one |
| InChI | InChI=1S/C10H13NO/c1-9(12)4-2-5-10-6-3-7-11-8-10/h3,6-8H,2,4-5H2,1H3 |
| InChI Key | DRNYVXCVAMTSMI-UHFFFAOYSA-N |
| MDL Number | MFCD16301089 |
| Molecular Formula | C10H13NO |
| Molecular Weight | 163.2163 |
| SMILES | CC(CCCC1=CN=CC=C1)=O |
| Synonyms | 5-(pyridin-3-yl)pentan-2-one,
90874-88-7,
5-(3-pyridinyl)-2-Pentanone,
5-(3-pyridyl)-2-pentanone,
5-pyridin-3-yl-pentan-2-one,
SCHEMBL7165228,
DRNYVXCVAMTSMI-UHFFFAOYSA-N,
2-Pentanone, 5-(3-pyridinyl)-,
MFCD16301089,
ZINC34140143,
AKOS017516039,
AS-48746,
DA-01442,
(2R,4e)-5-pyridin-3-yl-4-penten-2-ol,
FT-0752886,
J-500991,
Z2238520632,
|
| Complexity | 145 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 163.1g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 163.22g/mol |
| Monoisotopic Mass | 163.1g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 30A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number