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1577-28-2 | 2-Hexenoic acid, (2Z)-
CAS No: 1577-28-2 Catalog No: AG001PND MDL No:
Product Description
Catalog Number:
AG001PND
Chemical Name:
2-Hexenoic acid, (2Z)-
CAS Number:
1577-28-2
Molecular Formula:
C6H10O2
Molecular Weight:
114.1424
IUPAC Name:
(Z)-hex-2-enoic acid
InChI:
InChI=1S/C6H10O2/c1-2-3-4-5-6(7)8/h4-5H,2-3H2,1H3,(H,7,8)/b5-4-
InChI Key:
NIONDZDPPYHYKY-PLNGDYQASA-N
SMILES:
CCC/C=C\C(=O)O
Properties
Complexity:
94.7
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
114.068g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
114.144g/mol
Monoisotopic Mass:
114.068g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
Literature
| Title | Journal |
|---|---|
| Naturally occurring antifungal agents against Zygosaccharomyces bailii and their synergism. | Journal of agricultural and food chemistry 20050629 |
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