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112899-87-3 | Pyrimido[4,5-b]quinoline-2,4(1H,3H)-dione, 9-hydroxy-7,8-dimethyl-
CAS No: 112899-87-3 Catalog No: AG007ROP MDL No:
Product Description
Catalog Number:
AG007ROP
Chemical Name:
Pyrimido[4,5-b]quinoline-2,4(1H,3H)-dione, 9-hydroxy-7,8-dimethyl-
CAS Number:
112899-87-3
Molecular Formula:
C13H11N3O3
Molecular Weight:
257.2447
IUPAC Name:
9-hydroxy-7,8-dimethyl-1H-pyrimido[4,5-b]quinoline-2,4-dione
InChI:
InChI=1S/C13H11N3O3/c1-5-3-7-4-8-11(15-13(19)16-12(8)18)14-9(7)10(17)6(5)2/h3-4,17H,1-2H3,(H2,14,15,16,18,19)
InChI Key:
FAQCEXUHQVFKQK-UHFFFAOYSA-N
SMILES:
Cc1cc2cc3c(nc2c(c1C)O)[nH]c(=O)[nH]c3=O
Properties
Complexity:
414
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.08g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
257.249g/mol
Monoisotopic Mass:
257.08g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
91.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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