| CAS Number | 39050-03-8 |
| Catalog Number | AG00C87F(AGN-PC-0WB38Y) |
| Chemical Name | 1-(3-Methylpyridin-2-yl)propan-2-one |
| IUPAC Name | 1-(3-methylpyridin-2-yl)propan-2-one |
| InChI | InChI=1S/C9H11NO/c1-7-4-3-5-10-9(7)6-8(2)11/h3-5H,6H2,1-2H3 |
| InChI Key | GBHJULOPIKRXAE-UHFFFAOYSA-N |
| MDL Number | MFCD08572170 |
| Molecular Formula | C9H11NO |
| Molecular Weight | 149.1897 |
| SMILES | C1(=C(C=CC=N1)C)CC(C)=O |
| Synonyms | 1-(3-Methylpyridin-2-yl)acetone,
39050-03-8,
1-(3-methylpyridin-2-yl)propan-2-one,
1-(3-methyl-2-pyridinyl)acetone,
(3-methyl-pyridin-2-yl)-propan-2-one,
SCHEMBL7235916,
CHEMBL3229452,
CTK4I0850,
DTXSID80586312,
GBHJULOPIKRXAE-UHFFFAOYSA-N,
MFCD08572170,
ZINC19088014,
AKOS003237356,
AJ-70885,
DA-18522,
FT-0717574,
1-(3-Methylpyridin-2-yl)acetone, AldrichCPR,
Y-3974,
|
| Complexity | 145 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 149.084g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 149.193g/mol |
| Monoisotopic Mass | 149.084g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 30A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.9 |
GHS Hazard and Precautionary Statements
| Symbol: |  |
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Hazard Class
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\N
|
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Hazard statements
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H302
|
|
Packing Group
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\N
|
|
Precautionary statements
|
P280-P305+P351+P338
|
|
Signal Words
|
warning
|
|
UN Code
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\N
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Certificate of Analysis
Lot Number