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129348-50-1 | 2-Propyn-1-ol, 3-iodo-, 1-carbamate
CAS No: 129348-50-1 Catalog No: AG000Z31 MDL No:
Product Description
Catalog Number:
AG000Z31
Chemical Name:
2-Propyn-1-ol, 3-iodo-, 1-carbamate
CAS Number:
129348-50-1
Molecular Formula:
C4H4INO2
Molecular Weight:
224.9845
IUPAC Name:
carbamic acid;3-iodoprop-2-yn-1-ol
InChI:
InChI=1S/C3H3IO.CH3NO2/c4-2-1-3-5;2-1(3)4/h5H,3H2;2H2,(H,3,4)
InChI Key:
XVUKNNPHSUEIBV-UHFFFAOYSA-N
SMILES:
NC(=O)OCC#CI
Properties
Complexity:
98.5
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.939g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
243g/mol
Monoisotopic Mass:
242.939g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
83.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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