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89524-13-0 | 3-Octyn-2-ol, 1,1,1-trifluoro-
CAS No: 89524-13-0 Catalog No: AG0040QP MDL No:
Product Description
Catalog Number:
AG0040QP
Chemical Name:
3-Octyn-2-ol, 1,1,1-trifluoro-
CAS Number:
89524-13-0
Molecular Formula:
C8H11F3O
Molecular Weight:
180.1675
IUPAC Name:
1,1,1-trifluorooct-3-yn-2-ol
InChI:
InChI=1S/C8H11F3O/c1-2-3-4-5-6-7(12)8(9,10)11/h7,12H,2-4H2,1H3
InChI Key:
YIGWNBOZAOKETO-UHFFFAOYSA-N
SMILES:
CCCCC#CC(C(F)(F)F)O
Properties
Complexity:
184
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.076g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
180.17g/mol
Monoisotopic Mass:
180.076g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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