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88558-50-3 | 2-Butanol, 3-[(3-iodo-1-methyl-2-propynyl)oxy]-, methylcarbamate
CAS No: 88558-50-3 Catalog No: AG004CAP MDL No:
Product Description
Catalog Number:
AG004CAP
Chemical Name:
2-Butanol, 3-[(3-iodo-1-methyl-2-propynyl)oxy]-, methylcarbamate
CAS Number:
88558-50-3
Molecular Formula:
C10H18INO4
Molecular Weight:
343.1587
IUPAC Name:
3-(4-iodobut-3-yn-2-yloxy)butan-2-ol;methylcarbamic acid
InChI:
InChI=1S/C8H13IO2.C2H5NO2/c1-6(4-5-9)11-8(3)7(2)10;1-3-2(4)5/h6-8,10H,1-3H3;3H,1H3,(H,4,5)
InChI Key:
PNXWOGYRRMVWSD-UHFFFAOYSA-N
SMILES:
CC(C#CI)OC(C(O)C)C.CNC(=O)O
Properties
Complexity:
210
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
343.028g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
343.161g/mol
Monoisotopic Mass:
343.028g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
78.8A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
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