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138769-92-3 | (+)-cis-2(S),3(S)-2,3-Dihydroxy-2,3-dihydroiodobenzene
CAS No: 138769-92-3 Catalog No: AG018PTE MDL No:MFCD00216515
Product Description
Catalog Number:
AG018PTE
Chemical Name:
(+)-cis-2(S),3(S)-2,3-Dihydroxy-2,3-dihydroiodobenzene
CAS Number:
138769-92-3
Molecular Formula:
C6H7IO2
Molecular Weight:
238.0231
MDL Number:
MFCD00216515
IUPAC Name:
(1S,2S)-3-iodocyclohexa-3,5-diene-1,2-diol
InChI:
InChI=1S/C6H7IO2/c7-4-2-1-3-5(8)6(4)9/h1-3,5-6,8-9H/t5-,6+/m0/s1
InChI Key:
PGCYZXIWKRRLCW-NTSWFWBYSA-N
SMILES:
O[C@H]1[C@@H](O)C=CC=C1I
Properties
Complexity:
162
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
237.949g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
238.024g/mol
Monoisotopic Mass:
237.949g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
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