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88493-47-4 | 3-Hexen-1-ol, 1,1-difluoro-6-phenyl-, methanesulfonate, (E)-
CAS No: 88493-47-4 Catalog No: AG0049Y9 MDL No:
Product Description
Catalog Number:
AG0049Y9
Chemical Name:
3-Hexen-1-ol, 1,1-difluoro-6-phenyl-, methanesulfonate, (E)-
CAS Number:
88493-47-4
Molecular Formula:
C13H18F2O4S
Molecular Weight:
308.3414
IUPAC Name:
1,1-difluoro-6-phenylhex-3-en-1-ol;methanesulfonic acid
InChI:
InChI=1S/C12H14F2O.CH4O3S/c13-12(14,15)10-6-2-5-9-11-7-3-1-4-8-11;1-5(2,3)4/h1-4,6-8,15H,5,9-10H2;1H3,(H,2,3,4)
InChI Key:
KFOJOGNSTNWAAC-UHFFFAOYSA-N
SMILES:
OC(C/C=C/CCc1ccccc1)(F)F.CS(=O)(=O)O
Properties
Complexity:
288
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
308.089g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
308.34g/mol
Monoisotopic Mass:
308.089g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
83A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
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