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5309-52-4 | 2-Ethyl-2-hexenoic acid, predominantly trans
CAS No: 5309-52-4 Catalog No: AG003H6T MDL No:
Product Description
Catalog Number:
AG003H6T
Chemical Name:
2-Ethyl-2-hexenoic acid, predominantly trans
CAS Number:
5309-52-4
IUPAC Name:
(E)-2-ethylhex-2-enoic acid
InChI:
InChI=1S/C8H14O2/c1-3-5-6-7(4-2)8(9)10/h6H,3-5H2,1-2H3,(H,9,10)/b7-6+
InChI Key:
WOWYPHJOHOCYII-VOTSOKGWSA-N
EC Number:
226-167-1
Properties
Complexity:
136
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
142.099g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
142.198g/mol
Monoisotopic Mass:
142.099g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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