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89116-39-2 | 1,3-Hexadiene, 6-iodo-
CAS No: 89116-39-2 Catalog No: AG003YBF MDL No:
Product Description
Catalog Number:
AG003YBF
Chemical Name:
1,3-Hexadiene, 6-iodo-
CAS Number:
89116-39-2
Molecular Formula:
C6H9I
Molecular Weight:
208.0401
IUPAC Name:
6-iodohexa-1,3-diene
InChI:
InChI=1S/C6H9I/c1-2-3-4-5-6-7/h2-4H,1,5-6H2
InChI Key:
HFEAYEJOKMFREP-UHFFFAOYSA-N
SMILES:
ICCC=CC=C
Properties
Complexity:
64.6
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
207.975g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
208.042g/mol
Monoisotopic Mass:
207.975g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.3
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