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77295-58-0 | 1-HEXANOL, 6-IODO-, ACETATE
CAS No: 77295-58-0 Catalog No: AG005CZY MDL No:
Product Description
Catalog Number:
AG005CZY
Chemical Name:
1-HEXANOL, 6-IODO-, ACETATE
CAS Number:
77295-58-0
Molecular Formula:
C8H17IO3
Molecular Weight:
288.1233
IUPAC Name:
acetic acid;6-iodohexan-1-ol
InChI:
InChI=1S/C6H13IO.C2H4O2/c7-5-3-1-2-4-6-8;1-2(3)4/h8H,1-6H2;1H3,(H,3,4)
InChI Key:
FVFIHSYPPQYDNL-UHFFFAOYSA-N
SMILES:
CC(=O)O.OCCCCCCI
Properties
Complexity:
70.5
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
288.022g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
288.125g/mol
Monoisotopic Mass:
288.022g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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