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111831-49-3 | 2-Heptene, 6-iodo-2-methyl-
CAS No: 111831-49-3 Catalog No: AG0078NA MDL No:
Product Description
Catalog Number:
AG0078NA
Chemical Name:
2-Heptene, 6-iodo-2-methyl-
CAS Number:
111831-49-3
Molecular Formula:
C8H15I
Molecular Weight:
238.1092
IUPAC Name:
6-iodo-2-methylhept-2-ene
InChI:
InChI=1S/C8H15I/c1-7(2)5-4-6-8(3)9/h5,8H,4,6H2,1-3H3
InChI Key:
DPSXUHNVPLHRHI-UHFFFAOYSA-N
SMILES:
CC(CCC=C(C)C)I
Properties
Complexity:
90.7
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.022g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
238.112g/mol
Monoisotopic Mass:
238.022g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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