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845523-68-4 | 4-Penten-2-ol, 1,1,1-trifluoro-, acetate
CAS No: 845523-68-4 Catalog No: AG004VH2 MDL No:
Product Description
Catalog Number:
AG004VH2
Chemical Name:
4-Penten-2-ol, 1,1,1-trifluoro-, acetate
CAS Number:
845523-68-4
Molecular Formula:
C7H11F3O3
Molecular Weight:
200.1556
IUPAC Name:
acetic acid;1,1,1-trifluoropent-4-en-2-ol
InChI:
InChI=1S/C5H7F3O.C2H4O2/c1-2-3-4(9)5(6,7)8;1-2(3)4/h2,4,9H,1,3H2;1H3,(H,3,4)
InChI Key:
LPKIMWSBCGPORA-UHFFFAOYSA-N
SMILES:
CC(=O)O.C=CCC(C(F)(F)F)O
Properties
Complexity:
128
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
200.066g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
200.157g/mol
Monoisotopic Mass:
200.066g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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