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88208-20-2 | 1-Hexanol, 1,3,5-triethoxy-6-iodo-
CAS No: 88208-20-2 Catalog No: AG004BMN MDL No:
Product Description
Catalog Number:
AG004BMN
Chemical Name:
1-Hexanol, 1,3,5-triethoxy-6-iodo-
CAS Number:
88208-20-2
Molecular Formula:
C12H25IO4
Molecular Weight:
360.2290
IUPAC Name:
1,3,5-triethoxy-6-iodohexan-1-ol
InChI:
InChI=1S/C12H25IO4/c1-4-15-10(8-12(14)17-6-3)7-11(9-13)16-5-2/h10-12,14H,4-9H2,1-3H3
InChI Key:
FLZZSQCNPHPGNN-UHFFFAOYSA-N
SMILES:
CCOC(CC(CC(OCC)CI)OCC)O
Properties
Complexity:
169
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
360.08g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
360.232g/mol
Monoisotopic Mass:
360.08g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
47.9A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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