2-Methylbutanal Oxime - CAS 53061-04-4
Catalog: |
BB076174 |
Product Name: |
2-Methylbutanal Oxime |
CAS: |
53061-04-4 |
Synonyms: |
2-Methylbutyl aldoxime; 2-Methylbutyraldehyde oxime; 2-Methylbutyraldoxime |
IUPAC Name: | (NE)-N-(2-methylbutylidene)hydroxylamine |
Description: | 2-Methylbutanal Oxime is a fragrant volatile produced in certain springtime flowers. |
Molecular Weight: | 101.15 |
Molecular Formula: | C5H11NO |
Canonical SMILES: | CCC(C)C=NO |
InChI: | InChI=1S/C5H11NO/c1-3-5(2)4-6-7/h4-5,7H,3H2,1-2H3/b6-4+ |
InChI Key: | SEWWFHKIKWFJNV-GQCTYLIASA-N |
References: | Raguso, Robert A., et al. Phytochemistry., 63, 265(2003); Van Den Boom., et al. J. Chem. Ecol., 30, 69(2004). |
Complexity: | 61.1 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 1 |
Exact Mass: | 101.084063974 |
Formal Charge: | 0 |
Heavy Atom Count: | 7 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 101.084063974 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 32.6Ų |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.4 |
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