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143879-64-5 | 6-Quinazolinecarbonitrile, 5-hydroxy-2,4-dimethoxy-
CAS No: 143879-64-5 Catalog No: AG001IJO MDL No:
Product Description
Catalog Number:
AG001IJO
Chemical Name:
6-Quinazolinecarbonitrile, 5-hydroxy-2,4-dimethoxy-
CAS Number:
143879-64-5
Molecular Formula:
C11H9N3O3
Molecular Weight:
231.2075
IUPAC Name:
5-hydroxy-2,4-dimethoxyquinazoline-6-carbonitrile
InChI:
InChI=1S/C11H9N3O3/c1-16-10-8-7(13-11(14-10)17-2)4-3-6(5-12)9(8)15/h3-4,15H,1-2H3
InChI Key:
VOHSJOKVYDDVNU-UHFFFAOYSA-N
SMILES:
COc1nc(OC)nc2c1c(O)c(cc2)C#N
Properties
Complexity:
316
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.064g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
231.211g/mol
Monoisotopic Mass:
231.064g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
88.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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