Home Other Building Blocks Ethyl sorbate

Ethyl sorbate

CAS No.:
2396-84-1
Catalog Number:
AG0034WU
Molecular Formula:
C8H12O2
Molecular Weight:
140.1797
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
25g
98%
In Stock USA
United States
$25
- +
100g
98%
In Stock USA
United States
$75
- +
500g
98%
In Stock USA
United States
$300
- +
Product Description
Catalog Number:
AG0034WU
Chemical Name:
Ethyl sorbate
CAS Number:
2396-84-1
Molecular Formula:
C8H12O2
Molecular Weight:
140.1797
MDL Number:
MFCD00009296
IUPAC Name:
ethyl (2E,4E)-hexa-2,4-dienoate
InChI:
InChI=1S/C8H12O2/c1-3-5-6-7-8(9)10-4-2/h3,5-7H,4H2,1-2H3/b5-3+,7-6+
InChI Key:
OZZYKXXGCOLLLO-TWTPFVCWSA-N
SMILES:
CCOC(=O)/C=C/C=C/C
EC Number:
219-258-2
UNII:
HSR16USG4D
NSC Number:
8874
FEMA Number:
2459
Properties
Complexity:
145  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
2  
Exact Mass:
140.084g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
140.182g/mol
Monoisotopic Mass:
140.084g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  
Literature
Title Journal
Quantitative structure-activity relationship studies for prediction of antimicrobial activity of synthesized 2,4-hexadienoic acid derivatives. Bioorganic & medicinal chemistry letters 20071101
Properties