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87993-16-6 | Propanenitrile, 3-[(2-hydroxyethyl)methylarsino]-
CAS No: 87993-16-6 Catalog No: AG004H9R MDL No:
Product Description
Catalog Number:
AG004H9R
Chemical Name:
Propanenitrile, 3-[(2-hydroxyethyl)methylarsino]-
CAS Number:
87993-16-6
Molecular Formula:
C6H12AsNO
Molecular Weight:
189.0872
IUPAC Name:
3-[2-hydroxyethyl(methyl)arsanyl]propanenitrile
InChI:
InChI=1S/C6H12AsNO/c1-7(4-6-9)3-2-5-8/h9H,2-4,6H2,1H3
InChI Key:
BYUIPQGDNIWTIH-UHFFFAOYSA-N
SMILES:
OCC[As](CCC#N)C
Properties
Complexity:
107
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
189.013g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
189.09g/mol
Monoisotopic Mass:
189.013g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
44A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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