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114461-03-9 | 1-Decanol, 10-iodo-, 1-acetate
CAS No: 114461-03-9 Catalog No: AG000EFV MDL No:
Product Description
Catalog Number:
AG000EFV
Chemical Name:
1-Decanol, 10-iodo-, 1-acetate
CAS Number:
114461-03-9
Molecular Formula:
C12H23IO2
Molecular Weight:
326.2143
IUPAC Name:
acetic acid;10-iododecan-1-ol
InChI:
InChI=1S/C10H21IO.C2H4O2/c11-9-7-5-3-1-2-4-6-8-10-12;1-2(3)4/h12H,1-10H2;1H3,(H,3,4)
InChI Key:
REZDHQLTPTXYOV-UHFFFAOYSA-N
SMILES:
ICCCCCCCCCCOC(=O)C
Properties
Complexity:
107
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
344.085g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
344.233g/mol
Monoisotopic Mass:
344.085g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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