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112928-38-8 | Urea, (1,2,3,4-tetrahydro-4,4-dimethyl-1,3-dioxo-7-isoquinolinyl)-
CAS No: 112928-38-8 Catalog No: AG007RKL MDL No:
Product Description
Catalog Number:
AG007RKL
Chemical Name:
Urea, (1,2,3,4-tetrahydro-4,4-dimethyl-1,3-dioxo-7-isoquinolinyl)-
CAS Number:
112928-38-8
Molecular Formula:
C12H13N3O3
Molecular Weight:
247.2499
IUPAC Name:
(4,4-dimethyl-1,3-dioxoisoquinolin-7-yl)urea
InChI:
InChI=1S/C12H13N3O3/c1-12(2)8-4-3-6(14-11(13)18)5-7(8)9(16)15-10(12)17/h3-5H,1-2H3,(H3,13,14,18)(H,15,16,17)
InChI Key:
CBVKYYJCNGSWLB-UHFFFAOYSA-N
SMILES:
NC(=O)Nc1ccc2c(c1)C(=O)NC(=O)C2(C)C
Properties
Complexity:
405
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.096g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
247.254g/mol
Monoisotopic Mass:
247.096g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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