| CAS Number | 57620-49-2 |
| Catalog Number | AG003LQZ(AGN-PC-0052JU) |
| Chemical Name | 4-Methyl-4-nitrovaleraldehyde |
| IUPAC Name | 4-methyl-4-nitropentanal |
| InChI | InChI=1S/C6H11NO3/c1-6(2,7(9)10)4-3-5-8/h5H,3-4H2,1-2H3 |
| InChI Key | YDVAFDALOGXWTO-UHFFFAOYSA-N |
| MDL Number | MFCD09030771 |
| Molecular Formula | C6H11NO3 |
| Molecular Weight | 145.1564 |
| SMILES | CC([N+]([O-])=O)(C)CCC=O |
| Synonyms | 4-Methyl-4-nitrovaleraldehyde,
57620-49-2,
4-Methyl-4-nitropentanal,
ACMC-209lzc,
4-Nitro-4-methylpentanal,
Pentanal, 4-methyl-4-nitro-,
SCHEMBL1268828,
CTK1G8153,
DTXSID40483050,
YDVAFDALOGXWTO-UHFFFAOYSA-N,
ANW-32758,
MFCD09030771,
ZINC21989761,
AKOS015964023,
TC-121503,
M1825,
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| Complexity | 136 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 145.074g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 145.158g/mol |
| Monoisotopic Mass | 145.074g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 62.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number