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76360-66-2 | 1-Allyl-7-phenyl-1H-pyrimido[4,5-d][1,3]oxazine-2,4-dione
CAS No: 76360-66-2 Catalog No: AG0055KL MDL No:MFCD17011953
Product Description
Catalog Number:
AG0055KL
Chemical Name:
1-Allyl-7-phenyl-1H-pyrimido[4,5-d][1,3]oxazine-2,4-dione
CAS Number:
76360-66-2
Molecular Formula:
C15H11N3O3
Molecular Weight:
281.2661
MDL Number:
MFCD17011953
IUPAC Name:
7-phenyl-1-prop-2-enylpyrimido[4,5-d][1,3]oxazine-2,4-dione
InChI:
InChI=1S/C15H11N3O3/c1-2-8-18-13-11(14(19)21-15(18)20)9-16-12(17-13)10-6-4-3-5-7-10/h2-7,9H,1,8H2
InChI Key:
GGKUZJDSFNXJIF-UHFFFAOYSA-N
SMILES:
C=CCn1c(=O)oc(=O)c2c1nc(nc2)c1ccccc1
Properties
Complexity:
434
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
281.08g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
281.271g/mol
Monoisotopic Mass:
281.08g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
72.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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