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14633-67-1 | 3-Buten-2-ol, 3-(trifluoromethyl)-
CAS No: 14633-67-1 Catalog No: AG001DWW MDL No:
Product Description
Catalog Number:
AG001DWW
Chemical Name:
3-Buten-2-ol, 3-(trifluoromethyl)-
CAS Number:
14633-67-1
Molecular Formula:
C5H7F3O
Molecular Weight:
140.1037
IUPAC Name:
3-(trifluoromethyl)but-3-en-2-ol
InChI:
InChI=1S/C5H7F3O/c1-3(4(2)9)5(6,7)8/h4,9H,1H2,2H3
InChI Key:
DHRMEVSNXWLCTJ-UHFFFAOYSA-N
SMILES:
CC(C(=C)C(F)(F)F)O
Properties
Complexity:
116
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
140.045g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
140.105g/mol
Monoisotopic Mass:
140.045g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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