200,000+ products from a single source!
sales@angenechem.com
117840-05-8 | Isoxazolo[5,4-d]pyrimidin-4(5H)-one, 3-(4-methylphenyl)-
CAS No: 117840-05-8 Catalog No: AG007QPW MDL No:
Product Description
Catalog Number:
AG007QPW
Chemical Name:
Isoxazolo[5,4-d]pyrimidin-4(5H)-one, 3-(4-methylphenyl)-
CAS Number:
117840-05-8
Molecular Formula:
C12H9N3O2
Molecular Weight:
227.2188
IUPAC Name:
3-(4-methylphenyl)-5H-[1,2]oxazolo[5,4-d]pyrimidin-4-one
InChI:
InChI=1S/C12H9N3O2/c1-7-2-4-8(5-3-7)10-9-11(16)13-6-14-12(9)17-15-10/h2-6H,1H3,(H,13,14,16)
InChI Key:
YAGJLQQQWDDSKM-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)c1noc2c1c(=O)[nH]cn2
Properties
Complexity:
337
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:
1.5
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.