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871131-52-1 | 4-AMINO-5H-CHROMENO[4,3-D]PYRIMIDIN-5-ONE
CAS No: 871131-52-1 Catalog No: AG004OWT MDL No:
Product Description
Catalog Number:
AG004OWT
Chemical Name:
4-AMINO-5H-CHROMENO[4,3-D]PYRIMIDIN-5-ONE
CAS Number:
871131-52-1
Molecular Formula:
C11H7N3O2
Molecular Weight:
213.1922
IUPAC Name:
4-aminochromeno[4,3-d]pyrimidin-5-one
InChI:
InChI=1S/C11H7N3O2/c12-10-8-9(13-5-14-10)6-3-1-2-4-7(6)16-11(8)15/h1-5H,(H2,12,13,14)
InChI Key:
ANSYCHQJSHLCLB-UHFFFAOYSA-N
SMILES:
Nc1ncnc2c1c(=O)oc1c2cccc1
Properties
Complexity:
297
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
213.054g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
213.196g/mol
Monoisotopic Mass:
213.054g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
78.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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