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14629-76-6

14629-76-6 | 4-Hexyn-3-ol, 6,6,6-trifluoro-

CAS No: 14629-76-6 Catalog No: AG001DUV MDL No:

Product Description

Catalog Number:
AG001DUV
Chemical Name:
4-Hexyn-3-ol, 6,6,6-trifluoro-
CAS Number:
14629-76-6
Molecular Formula:
C6H7F3O
Molecular Weight:
152.1144
IUPAC Name:
6,6,6-trifluorohex-4-yn-3-ol
InChI:
InChI=1S/C6H7F3O/c1-2-5(10)3-4-6(7,8)9/h5,10H,2H2,1H3
InChI Key:
PPPKFENWHORJHM-UHFFFAOYSA-N
SMILES:
CCC(C#CC(F)(F)F)O

Properties

Complexity:
159  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
152.045g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
152.116g/mol
Monoisotopic Mass:
152.045g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  

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