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150895-41-3 | 3,5-Cyclohexadiene-1,2-diol, 3-iodo-6-methyl-, (1S,2S)-
CAS No: 150895-41-3 Catalog No: AG001MXM MDL No:
Product Description
Catalog Number:
AG001MXM
Chemical Name:
3,5-Cyclohexadiene-1,2-diol, 3-iodo-6-methyl-, (1S,2S)-
CAS Number:
150895-41-3
Molecular Formula:
C7H9IO2
Molecular Weight:
252.0496
IUPAC Name:
(1S,2S)-3-iodo-6-methylcyclohexa-3,5-diene-1,2-diol
InChI:
InChI=1S/C7H9IO2/c1-4-2-3-5(8)7(10)6(4)9/h2-3,6-7,9-10H,1H3/t6-,7+/m0/s1
InChI Key:
UWXNEZHHFXIECI-NKWVEPMBSA-N
SMILES:
CC1=CC=C([C@H]([C@H]1O)O)I
Properties
Complexity:
196
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
251.965g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
252.051g/mol
Monoisotopic Mass:
251.965g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
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