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39113-24-1 | (3-oxo-1,4-dihydroisoquinolin-2-yl)urea
CAS No: 39113-24-1 Catalog No: AG00D3X0 MDL No:
Product Description
Catalog Number:
AG00D3X0
Chemical Name:
(3-oxo-1,4-dihydroisoquinolin-2-yl)urea
CAS Number:
39113-24-1
IUPAC Name:
(3-oxo-1,4-dihydroisoquinolin-2-yl)urea
InChI:
InChI=1S/C10H11N3O2/c11-10(15)12-13-6-8-4-2-1-3-7(8)5-9(13)14/h1-4H,5-6H2,(H3,11,12,15)
InChI Key:
OXQPATYLTQYJOS-UHFFFAOYSA-N
Properties
Complexity:
280
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
205.085g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
205.217g/mol
Monoisotopic Mass:
205.085g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
75.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
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