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137648-88-5 | 5-Decen-1-ol, 4,4-difluoro-, acetate, (Z)- (9CI)
CAS No: 137648-88-5 Catalog No: AG0013OL MDL No:
Product Description
Catalog Number:
AG0013OL
Chemical Name:
5-Decen-1-ol, 4,4-difluoro-, acetate, (Z)- (9CI)
CAS Number:
137648-88-5
Molecular Formula:
C12H20F2O2
Molecular Weight:
234.2828
IUPAC Name:
acetic acid;4,4-difluorodec-5-en-1-ol
InChI:
InChI=1S/C10H18F2O.C2H4O2/c1-2-3-4-5-7-10(11,12)8-6-9-13;1-2(3)4/h5,7,13H,2-4,6,8-9H2,1H3;1H3,(H,3,4)
InChI Key:
IGVIMFVCMFWJFN-UHFFFAOYSA-N
SMILES:
CCCC/C=C\C(CCCOC(=O)C)(F)F
Properties
Complexity:
175
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.154g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
252.302g/mol
Monoisotopic Mass:
252.154g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
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