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93404-33-2 | β-Trifluoromethylcrotonic acid
CAS No: 93404-33-2 Catalog No: AG003VGE MDL No:
Product Description
Catalog Number:
AG003VGE
Chemical Name:
β-Trifluoromethylcrotonic acid
CAS Number:
93404-33-2
IUPAC Name:
(Z)-4,4,4-trifluoro-3-methylbut-2-enoic acid
InChI:
InChI=1S/C5H5F3O2/c1-3(2-4(9)10)5(6,7)8/h2H,1H3,(H,9,10)/b3-2-
InChI Key:
QRRCTLYMABZQCS-IHWYPQMZSA-N
Properties
Complexity:
168
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
154.024g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
154.088g/mol
Monoisotopic Mass:
154.024g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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