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88558-48-9 | Ethanol, 2-[(3-iodo-1-methyl-2-propynyl)oxy]-, methylcarbamate
CAS No: 88558-48-9 Catalog No: AG004CAQ MDL No:
Product Description
Catalog Number:
AG004CAQ
Chemical Name:
Ethanol, 2-[(3-iodo-1-methyl-2-propynyl)oxy]-, methylcarbamate
CAS Number:
88558-48-9
Molecular Formula:
C8H14INO4
Molecular Weight:
315.1055
IUPAC Name:
2-(4-iodobut-3-yn-2-yloxy)ethanol;methylcarbamic acid
InChI:
InChI=1S/C6H9IO2.C2H5NO2/c1-6(2-3-7)9-5-4-8;1-3-2(4)5/h6,8H,4-5H2,1H3;3H,1H3,(H,4,5)
InChI Key:
LMIPIAXUMBFOTI-UHFFFAOYSA-N
SMILES:
CC(C#CI)OCCO.CNC(=O)O
Properties
Complexity:
164
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
314.997g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
315.107g/mol
Monoisotopic Mass:
314.997g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
78.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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