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206998-22-3 | 2,4-Hexadien-1-ol, 5-iodo-3-methyl-, (2E,4E)-
CAS No: 206998-22-3 Catalog No: AG002IST MDL No:
Product Description
Catalog Number:
AG002IST
Chemical Name:
2,4-Hexadien-1-ol, 5-iodo-3-methyl-, (2E,4E)-
CAS Number:
206998-22-3
Molecular Formula:
C7H11IO
Molecular Weight:
238.0661
IUPAC Name:
5-iodo-3-methylhexa-2,4-dien-1-ol
InChI:
InChI=1S/C7H11IO/c1-6(3-4-9)5-7(2)8/h3,5,9H,4H2,1-2H3
InChI Key:
AKNQZUWKJFDHDP-UHFFFAOYSA-N
SMILES:
OC/C=C(/C=C(/I)\C)\C
Properties
Complexity:
136
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
237.985g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
238.068g/mol
Monoisotopic Mass:
237.985g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
XLogP3:
2.6
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