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Home > Fluorides > 113962-14-4
113962-14-4 | 4-Cyclopentene-1,3-diol, 1-butyl-4-fluoro-
CAS No: 113962-14-4 Catalog No: AG000A62 MDL No:
Product Description
Catalog Number:
AG000A62
Chemical Name:
4-Cyclopentene-1,3-diol, 1-butyl-4-fluoro-
CAS Number:
113962-14-4
Molecular Formula:
C9H15FO2
Molecular Weight:
174.2126
IUPAC Name:
1-butyl-4-fluorocyclopent-4-ene-1,3-diol
InChI:
InChI=1S/C9H15FO2/c1-2-3-4-9(12)5-7(10)8(11)6-9/h5,8,11-12H,2-4,6H2,1H3
InChI Key:
BLRTULYDFQZUNF-UHFFFAOYSA-N
SMILES:
CCCCC1(O)CC(C(=C1)F)O
Properties
Complexity:
191
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
174.106g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
174.215g/mol
Monoisotopic Mass:
174.106g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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