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130496-90-1 | 2,5-Hexadien-1-ol, 3-iodo-5-methyl-
CAS No: 130496-90-1 Catalog No: AG000UI7 MDL No:
Product Description
Catalog Number:
AG000UI7
Chemical Name:
2,5-Hexadien-1-ol, 3-iodo-5-methyl-
CAS Number:
130496-90-1
Molecular Formula:
C7H11IO
Molecular Weight:
238.0661
IUPAC Name:
3-iodo-5-methylhexa-2,5-dien-1-ol
InChI:
InChI=1S/C7H11IO/c1-6(2)5-7(8)3-4-9/h3,9H,1,4-5H2,2H3
InChI Key:
NXHDQOBUIDQQHY-UHFFFAOYSA-N
SMILES:
CC(=C)CC(=CCO)I
Properties
Complexity:
127
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:
3
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.7
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