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79695-40-2 | 2-Hexenoic acid, 2-fluoro-, ethyl ester, (E)-
CAS No: 79695-40-2 Catalog No: AG0050WH MDL No:
Product Description
Catalog Number:
AG0050WH
Chemical Name:
2-Hexenoic acid, 2-fluoro-, ethyl ester, (E)-
CAS Number:
79695-40-2
Molecular Formula:
C8H13FO2
Molecular Weight:
160.1860
IUPAC Name:
ethyl 2-fluorohex-2-enoate
InChI:
InChI=1S/C8H13FO2/c1-3-5-6-7(9)8(10)11-4-2/h6H,3-5H2,1-2H3
InChI Key:
JWCZIYIXBASBFH-UHFFFAOYSA-N
SMILES:
CCC/C=C(\C(=O)OCC)/F
Properties
Complexity:
152
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
160.09g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
160.188g/mol
Monoisotopic Mass:
160.09g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.6
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