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42061-92-7 | 2-Furancarbonitrile, 5-[[(2,4-dioxo-1-imidazolidinyl)imino]methyl]-
CAS No: 42061-92-7 Catalog No: AG0073O5 MDL No:
Product Description
Catalog Number:
AG0073O5
Chemical Name:
2-Furancarbonitrile, 5-[[(2,4-dioxo-1-imidazolidinyl)imino]methyl]-
CAS Number:
42061-92-7
Molecular Formula:
C9H6N4O3
Molecular Weight:
218.1689
IUPAC Name:
5-[(2,4-dioxoimidazolidin-1-yl)iminomethyl]furan-2-carbonitrile
InChI:
InChI=1S/C9H6N4O3/c10-3-6-1-2-7(16-6)4-11-13-5-8(14)12-9(13)15/h1-2,4H,5H2,(H,12,14,15)
InChI Key:
CUAWKFAKOLAZNB-UHFFFAOYSA-N
SMILES:
C1N(N=Cc2ccc(o2)C#N)C(=O)NC1=O
Properties
Complexity:
397
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.044g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
218.172g/mol
Monoisotopic Mass:
218.044g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
98.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
-0.6
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