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116215-59-9 | 2H,5H-[1]Benzopyrano[3,4-e]-1,3-oxazine-2,4(3H)-dione, 5-phenyl-
CAS No: 116215-59-9 Catalog No: AG000BXK MDL No:
Product Description
Catalog Number:
AG000BXK
Chemical Name:
2H,5H-[1]Benzopyrano[3,4-e]-1,3-oxazine-2,4(3H)-dione, 5-phenyl-
CAS Number:
116215-59-9
Molecular Formula:
C17H11NO4
Molecular Weight:
293.2735
IUPAC Name:
5-phenyl-5H-chromeno[3,4-e][1,3]oxazine-2,4-dione
InChI:
InChI=1S/C17H11NO4/c19-16-13-14(10-6-2-1-3-7-10)21-12-9-5-4-8-11(12)15(13)22-17(20)18-16/h1-9,14H,(H,18,19,20)
InChI Key:
QGWXZGPESYGGAR-UHFFFAOYSA-N
SMILES:
O=c1[nH]c(=O)c2c(o1)c1ccccc1OC2c1ccccc1
Properties
Complexity:
521
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
293.069g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
293.278g/mol
Monoisotopic Mass:
293.069g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
64.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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