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88558-36-5 | Ethanol, 2-[(3-iodo-2-propynyl)oxy]-, methylcarbamate
CAS No: 88558-36-5 Catalog No: AG004E3C MDL No:
Product Description
Catalog Number:
AG004E3C
Chemical Name:
Ethanol, 2-[(3-iodo-2-propynyl)oxy]-, methylcarbamate
CAS Number:
88558-36-5
Molecular Formula:
C7H12INO4
Molecular Weight:
301.0789
IUPAC Name:
2-(3-iodoprop-2-ynoxy)ethanol;methylcarbamic acid
InChI:
InChI=1S/C5H7IO2.C2H5NO2/c6-2-1-4-8-5-3-7;1-3-2(4)5/h7H,3-5H2;3H,1H3,(H,4,5)
InChI Key:
YNXQBJWGKQZRNK-UHFFFAOYSA-N
SMILES:
CNC(=O)O.OCCOCC#CI
Properties
Complexity:
142
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
300.981g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
301.08g/mol
Monoisotopic Mass:
300.981g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
78.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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