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192886-39-8 | Cyclohexene, 3-iodo-5-methyl-, (3R,5R)-rel-
CAS No: 192886-39-8 Catalog No: AG002GFR MDL No:
Product Description
Catalog Number:
AG002GFR
Chemical Name:
Cyclohexene, 3-iodo-5-methyl-, (3R,5R)-rel-
CAS Number:
192886-39-8
Molecular Formula:
C7H11I
Molecular Weight:
222.0667
IUPAC Name:
(3S,5S)-3-iodo-5-methylcyclohexene
InChI:
InChI=1S/C7H11I/c1-6-3-2-4-7(8)5-6/h2,4,6-7H,3,5H2,1H3/t6-,7+/m0/s1
InChI Key:
ISERMARAOKKAKJ-NKWVEPMBSA-N
SMILES:
C[C@@H]1CC=C[C@@H](C1)I
Properties
Complexity:
96.6
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
221.991g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
222.069g/mol
Monoisotopic Mass:
221.991g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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