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Home > Fluorides > 824431-48-3
824431-48-3 | 4-Penten-1-ol, 5-[4-(trifluoromethyl)phenyl]-, (4E)-
CAS No: 824431-48-3 Catalog No: AG0050QK MDL No:
Product Description
Catalog Number:
AG0050QK
Chemical Name:
4-Penten-1-ol, 5-[4-(trifluoromethyl)phenyl]-, (4E)-
CAS Number:
824431-48-3
Molecular Formula:
C12H13F3O
Molecular Weight:
230.2262
IUPAC Name:
5-[4-(trifluoromethyl)phenyl]pent-4-en-1-ol
InChI:
InChI=1S/C12H13F3O/c13-12(14,15)11-7-5-10(6-8-11)4-2-1-3-9-16/h2,4-8,16H,1,3,9H2
InChI Key:
APOIKIFQXBCEIO-UHFFFAOYSA-N
SMILES:
OCCC/C=C/c1ccc(cc1)C(F)(F)F
Properties
Complexity:
215
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.092g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
230.23g/mol
Monoisotopic Mass:
230.092g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.4
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