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88558-49-0

88558-49-0 | Ethanol, 2-[(3-iodo-1,1-dimethyl-2-propynyl)oxy]-, methylcarbamate

CAS No: 88558-49-0 Catalog No: AG004C2P MDL No:

Product Description

Catalog Number:
AG004C2P
Chemical Name:
Ethanol, 2-[(3-iodo-1,1-dimethyl-2-propynyl)oxy]-, methylcarbamate
CAS Number:
88558-49-0
Molecular Formula:
C9H16INO4
Molecular Weight:
329.1321
IUPAC Name:
2-(4-iodo-2-methylbut-3-yn-2-yl)oxyethanol;methylcarbamic acid
InChI:
InChI=1S/C7H11IO2.C2H5NO2/c1-7(2,3-4-8)10-6-5-9;1-3-2(4)5/h9H,5-6H2,1-2H3;3H,1H3,(H,4,5)
InChI Key:
YAQTYNRERORNJS-UHFFFAOYSA-N
SMILES:
CNC(=O)O.OCCOC(C#CI)(C)C

Properties

Complexity:
194  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
329.012g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
329.134g/mol
Monoisotopic Mass:
329.012g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
78.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

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