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15991-05-6 | Guanidine, N-(2-oxo-2H-1-benzopyran-6-yl)-, hydrochloride (1:1)
CAS No: 15991-05-6 Catalog No: AG001RI9 MDL No:
Product Description
Catalog Number:
AG001RI9
Chemical Name:
Guanidine, N-(2-oxo-2H-1-benzopyran-6-yl)-, hydrochloride (1:1)
CAS Number:
15991-05-6
Molecular Formula:
C10H10ClN3O2
Molecular Weight:
239.6583
IUPAC Name:
2-(2-oxochromen-6-yl)guanidine
InChI:
InChI=1S/C10H9N3O2/c11-10(12)13-7-2-3-8-6(5-7)1-4-9(14)15-8/h1-5H,(H4,11,12,13)
InChI Key:
OFZKVNIFUSQLMB-UHFFFAOYSA-N
SMILES:
NC(=N)Nc1ccc2c(c1)ccc(=O)o2.Cl
Properties
Complexity:
321
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
203.069g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
203.201g/mol
Monoisotopic Mass:
203.069g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
90.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
Literature
| Title | Journal |
|---|---|
| Design, synthesis and vasorelaxant evaluation of novel coumarin-pyrimidine hybrids. | Bioorganic & medicinal chemistry 20111015 |
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