| CAS Number | 83188-08-3 |
| Catalog Number | AG0050DO(AGN-PC-00LC30) |
| Chemical Name | 6-Nitroheptan-3-one |
| IUPAC Name | 6-nitroheptan-3-one |
| InChI | InChI=1S/C7H13NO3/c1-3-7(9)5-4-6(2)8(10)11/h6H,3-5H2,1-2H3 |
| InChI Key | ZYKAXLRSLQVORW-UHFFFAOYSA-N |
| MDL Number | MFCD26967963 |
| Molecular Formula | C7H13NO3 |
| Molecular Weight | 159.1830 |
| SMILES | [O-][N+](C(C)CCC(CC)=O)=O |
| Synonyms | 6-Nitroheptan-3-one,
83188-08-3,
AK143312,
6-Nitro-3-heptanone,
3-Heptanone, 6-nitro-,
CTK3D4162,
DTXSID70525634,
MFCD26967963,
AKOS022176189,
DS-3058,
AX8282676,
ST2412470,
4CH-016031,
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| Complexity | 150 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 159.09g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 159.185g/mol |
| Monoisotopic Mass | 159.09g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 62.9A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.9 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number