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88558-47-8 | 2-Butanol, 3-[(3-iodo-2-propynyl)oxy]-, methylcarbamate
CAS No: 88558-47-8 Catalog No: AG008BKK MDL No:
Product Description
Catalog Number:
AG008BKK
Chemical Name:
2-Butanol, 3-[(3-iodo-2-propynyl)oxy]-, methylcarbamate
CAS Number:
88558-47-8
Molecular Formula:
C9H16INO4
Molecular Weight:
329.1321
IUPAC Name:
3-(3-iodoprop-2-ynoxy)butan-2-ol;methylcarbamic acid
InChI:
InChI=1S/C7H11IO2.C2H5NO2/c1-6(9)7(2)10-5-3-4-8;1-3-2(4)5/h6-7,9H,5H2,1-2H3;3H,1H3,(H,4,5)
InChI Key:
ALIRQHWBLJIDAT-UHFFFAOYSA-N
SMILES:
CC(C(O)C)OCC#CI.CNC(=O)O
Properties
Complexity:
187
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:
3
Topological Polar Surface Area:
78.8A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
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