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17678-97-6 | 2-Butanol, 3-iodo-2,3-dimethyl-, 2-acetate
CAS No: 17678-97-6 Catalog No: AG0024WB MDL No:
Product Description
Catalog Number:
AG0024WB
Chemical Name:
2-Butanol, 3-iodo-2,3-dimethyl-, 2-acetate
CAS Number:
17678-97-6
Molecular Formula:
C8H15IO2
Molecular Weight:
270.1080
IUPAC Name:
acetic acid;3-iodo-2,3-dimethylbutan-2-ol
InChI:
InChI=1S/C6H13IO.C2H4O2/c1-5(2,7)6(3,4)8;1-2(3)4/h8H,1-4H3;1H3,(H,3,4)
InChI Key:
QZBMVUDYKUZUBB-UHFFFAOYSA-N
SMILES:
CC(=O)OC(C(I)(C)C)(C)C
Properties
Complexity:
118
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:
1
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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