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88493-49-6 | 3-Hexen-1-ol, 1,1-difluoro-2-methyl-6-phenyl-, methanesulfonate, (E)-
CAS No: 88493-49-6 Catalog No: AG0049QE MDL No:
Product Description
Catalog Number:
AG0049QE
Chemical Name:
3-Hexen-1-ol, 1,1-difluoro-2-methyl-6-phenyl-, methanesulfonate, (E)-
CAS Number:
88493-49-6
Molecular Formula:
C14H20F2O4S
Molecular Weight:
322.3680
IUPAC Name:
1,1-difluoro-2-methyl-6-phenylhex-3-en-1-ol;methanesulfonic acid
InChI:
InChI=1S/C13H16F2O.CH4O3S/c1-11(13(14,15)16)7-5-6-10-12-8-3-2-4-9-12;1-5(2,3)4/h2-5,7-9,11,16H,6,10H2,1H3;1H3,(H,2,3,4)
InChI Key:
RKVAPUZJYZBBPR-UHFFFAOYSA-N
SMILES:
CS(=O)(=O)O.CC(C(F)(F)O)/C=C/CCc1ccccc1
Properties
Complexity:
313
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
322.105g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
322.367g/mol
Monoisotopic Mass:
322.105g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
83A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
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