| CAS Number | 62969-85-1 |
| Catalog Number | AG00ELMD(AGN-PC-07H7VW) |
| Chemical Name | 6-Isopropylpyridin-2(1H)-One |
| IUPAC Name | 6-propan-2-yl-1H-pyridin-2-one |
| InChI | InChI=1S/C8H11NO/c1-6(2)7-4-3-5-8(10)9-7/h3-6H,1-2H3,(H,9,10) |
| InChI Key | XNDNTUOEUNAQAX-UHFFFAOYSA-N |
| MDL Number | MFCD18427795 |
| Molecular Formula | C8H11NO |
| Molecular Weight | 137.1790 |
| SMILES | Oc1cccc(n1)C(C)C |
| Synonyms | 62969-85-1,
6-Isopropylpyridin-2-ol,
6-Isopropylpyridin-2(1H)-one,
6-isopropyl-2-pyridinol,
6-(1-methylethyl)-2(1H)-Pyridinone,
1849345-34-1,
2(1H)-Pyridinone, 6-(1-methylethyl)-,
SCHEMBL179270,
6-isopropyl-1H-pyridin-2-one,
6-isopropyl-2(1H)-pyridinone,
6-Isopropylpyridine-2(1H)-one,
MFCD11876342,
ZINC39213071,
AKOS015943392,
AJ-99112,
6-(propan-2-yl)-1,2-dihydropyridin-2-one,
FT-0744571,
Y-6915,
2-chloro-N-[2-(4-chlorophenyl)ethyl]acetamide,
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| Complexity | 201 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 137.084g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 137.182g/mol |
| Monoisotopic Mass | 137.084g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 29.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
GHS Hazard and Precautionary Statements
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Hazard Class
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Hazard statements
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H302-H315-H319-H335
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Packing Group
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Precautionary statements
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P261-P305+P351+P338
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UN Code
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Certificate of Analysis
Lot Number