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94137-53-8 | 2,5-Heptadiene, 2-iodo-6-methyl-, (E)-
CAS No: 94137-53-8 Catalog No: AG005TIF MDL No:
Product Description
Catalog Number:
AG005TIF
Chemical Name:
2,5-Heptadiene, 2-iodo-6-methyl-, (E)-
CAS Number:
94137-53-8
Molecular Formula:
C8H13I
Molecular Weight:
236.0933
IUPAC Name:
2-iodo-6-methylhepta-2,5-diene
InChI:
InChI=1S/C8H13I/c1-7(2)5-4-6-8(3)9/h5-6H,4H2,1-3H3
InChI Key:
ZHTKSTSBVFANCD-UHFFFAOYSA-N
SMILES:
CC(=CC/C=C(/I)\C)C
Properties
Complexity:
128
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.006g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
236.096g/mol
Monoisotopic Mass:
236.006g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4.1
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