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149109-22-8 | 2-Hexenedial, (2Z)-
CAS No: 149109-22-8 Catalog No: AG001LEW MDL No:
Product Description
Catalog Number:
AG001LEW
Chemical Name:
2-Hexenedial, (2Z)-
CAS Number:
149109-22-8
Molecular Formula:
C6H8O2
Molecular Weight:
112.1265
IUPAC Name:
hex-2-enedial
InChI:
InChI=1S/C6H8O2/c7-5-3-1-2-4-6-8/h1,3,5-6H,2,4H2
InChI Key:
LNRGVCBUONGIKW-UHFFFAOYSA-N
SMILES:
O=CCC/C=C\C=O
Properties
Complexity:
94.7
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
112.052g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
112.128g/mol
Monoisotopic Mass:
112.052g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
-0.1
Literature
| Title | Journal |
|---|---|
| Synthesis of alpha-stereogenic amides and ketones by enantioselective conjugate addition of 1,4-dicarbonyl but-2-enes. | Chemistry (Weinheim an der Bergstrasse, Germany) 20090101 |
| Water deficit alters differentially metabolic pathways affecting important flavor and quality traits in grape berries of Cabernet Sauvignon and Chardonnay. | BMC genomics 20090101 |
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