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828295-40-5 | 3-Cyclohexene-1,2-diol, 3-iodo-, (1S,2R)-
CAS No: 828295-40-5 Catalog No: AG004WXT MDL No:
Product Description
Catalog Number:
AG004WXT
Chemical Name:
3-Cyclohexene-1,2-diol, 3-iodo-, (1S,2R)-
CAS Number:
828295-40-5
Molecular Formula:
C6H9IO2
Molecular Weight:
240.0389
IUPAC Name:
(1S,2R)-3-iodocyclohex-3-ene-1,2-diol
InChI:
InChI=1S/C6H9IO2/c7-4-2-1-3-5(8)6(4)9/h2,5-6,8-9H,1,3H2/t5-,6-/m0/s1
InChI Key:
INYNZJTUZXUATK-WDSKDSINSA-N
SMILES:
O[C@@H]1[C@@H](O)CCC=C1I
Properties
Complexity:
133
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
239.965g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
240.04g/mol
Monoisotopic Mass:
239.965g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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