| CAS Number | 885229-42-5 |
| Catalog Number | AG00H45J(AGN-PC-0WQVNR) |
| Chemical Name | 1-(6-Methoxypyridin-3-yl)propan-1-one |
| IUPAC Name | 1-(6-methoxypyridin-3-yl)propan-1-one |
| InChI | InChI=1S/C9H11NO2/c1-3-8(11)7-4-5-9(12-2)10-6-7/h4-6H,3H2,1-2H3 |
| InChI Key | QPQZLVUOFQEHBY-UHFFFAOYSA-N |
| MDL Number | MFCD18802862 |
| Molecular Formula | C9H11NO2 |
| Molecular Weight | 165.1891 |
| SMILES | CCC(C1=CC=C(OC)N=C1)=O |
| Synonyms | 1-(6-methoxypyridin-3-yl)propan-1-one,
885229-42-5,
1-Propanone, 1-(6-methoxy-3-pyridinyl)-,
SCHEMBL2186062,
QPQZLVUOFQEHBY-UHFFFAOYSA-N,
MFCD18802862,
ZINC72225042,
1-(6-Methoxy-3-pyridinyl)-1-propanone,
DA-40873,
1-(6-Methoxy-pyridin-3-yl)-propan-1-one,
CS-0035755,
FT-0708616,
A1-09628,
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| Complexity | 159 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 165.079g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 165.192g/mol |
| Monoisotopic Mass | 165.079g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 39.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number