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88558-46-7 | Ethanol, 2-[(3-iodo-2-propynyl)oxy]-, carbamate
CAS No: 88558-46-7 Catalog No: AG004CAR MDL No:
Product Description
Catalog Number:
AG004CAR
Chemical Name:
Ethanol, 2-[(3-iodo-2-propynyl)oxy]-, carbamate
CAS Number:
88558-46-7
Molecular Formula:
C6H10INO4
Molecular Weight:
287.0524
IUPAC Name:
carbamic acid;2-(3-iodoprop-2-ynoxy)ethanol
InChI:
InChI=1S/C5H7IO2.CH3NO2/c6-2-1-4-8-5-3-7;2-1(3)4/h7H,3-5H2;2H2,(H,3,4)
InChI Key:
IRYOUIITGWOXBM-UHFFFAOYSA-N
SMILES:
NC(=O)O.OCCOCC#CI
Properties
Complexity:
133
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
286.965g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
287.053g/mol
Monoisotopic Mass:
286.965g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
92.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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