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938007-09-1 | 2-(2-methylphenyl)[1,3]oxazolo[5,4-d]pyrimidin-7(6H)-one
CAS No: 938007-09-1 Catalog No: AG00JFLU MDL No:MFCD08559088
Product Description
Catalog Number:
AG00JFLU
Chemical Name:
2-(2-methylphenyl)[1,3]oxazolo[5,4-d]pyrimidin-7(6H)-one
CAS Number:
938007-09-1
Molecular Formula:
C12H9N3O2
Molecular Weight:
227.2188
MDL Number:
MFCD08559088
IUPAC Name:
2-(2-methylphenyl)-6H-[1,3]oxazolo[5,4-d]pyrimidin-7-one
InChI:
InChI=1S/C12H9N3O2/c1-7-4-2-3-5-8(7)11-15-9-10(16)13-6-14-12(9)17-11/h2-6H,1H3,(H,13,14,16)
InChI Key:
AXXKRLNLYLJZMB-UHFFFAOYSA-N
SMILES:
Cc1ccccc1c1oc2c(n1)c(=O)[nH]cn2
Properties
Complexity:
345
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.069g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
227.223g/mol
Monoisotopic Mass:
227.069g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
67.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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