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13019-16-4 | 2-Octenal, 2-butyl-
CAS No: 13019-16-4 Catalog No: AG000U4D MDL No:MFCD23701665
Product Description
Catalog Number:
AG000U4D
Chemical Name:
2-Octenal, 2-butyl-
CAS Number:
13019-16-4
Molecular Formula:
C12H22O
Molecular Weight:
182.3025
MDL Number:
MFCD23701665
IUPAC Name:
(Z)-2-butyloct-2-enal
InChI:
InChI=1S/C12H22O/c1-3-5-7-8-10-12(11-13)9-6-4-2/h10-11H,3-9H2,1-2H3/b12-10-
InChI Key:
LYGMPIZYNJGJKP-BENRWUELSA-N
SMILES:
CCCCCC=C(CCCC)C=O
UNII:
82P740211E
FEMA Number:
4616
Properties
Complexity:
147
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
182.167g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
182.307g/mol
Monoisotopic Mass:
182.167g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
Literature
| Title | Journal |
|---|---|
| Temporal changes in aroma release of Longjing tea infusion: interaction of volatile and nonvolatile tea components and formation of 2-butyl-2-octenal upon aging. | Journal of agricultural and food chemistry 20080326 |
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