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179766-56-4 | 2,4-Hexadiene-1,6-diol, 2,5-diiodo-, (E,E)- (9CI)
CAS No: 179766-56-4 Catalog No: AG00278Z MDL No:
Product Description
Catalog Number:
AG00278Z
Chemical Name:
2,4-Hexadiene-1,6-diol, 2,5-diiodo-, (E,E)- (9CI)
CAS Number:
179766-56-4
Molecular Formula:
C6H8I2O2
Molecular Weight:
365.9355
IUPAC Name:
2,5-diiodohexa-2,4-diene-1,6-diol
InChI:
InChI=1S/C6H8I2O2/c7-5(3-9)1-2-6(8)4-10/h1-2,9-10H,3-4H2
InChI Key:
LKGMWLMVSOXTJL-UHFFFAOYSA-N
SMILES:
OC/C(=C\C=C(/CO)\I)/I
Properties
Complexity:
134
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
365.861g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
365.937g/mol
Monoisotopic Mass:
365.861g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
XLogP3:
1.6
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