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797801-55-9 | 1H-Pyrrole-2,5-dione, 1-(3,4-dihydro-3-phenyl-2H-1,3-benzoxazin-6-yl)-
CAS No: 797801-55-9 Catalog No: AG005HDF MDL No:
Product Description
Catalog Number:
AG005HDF
Chemical Name:
1H-Pyrrole-2,5-dione, 1-(3,4-dihydro-3-phenyl-2H-1,3-benzoxazin-6-yl)-
CAS Number:
797801-55-9
Molecular Formula:
C18H14N2O3
Molecular Weight:
306.3154
IUPAC Name:
1-(3-phenyl-2,4-dihydro-1,3-benzoxazin-6-yl)pyrrole-2,5-dione
InChI:
InChI=1S/C18H14N2O3/c21-17-8-9-18(22)20(17)15-6-7-16-13(10-15)11-19(12-23-16)14-4-2-1-3-5-14/h1-10H,11-12H2
InChI Key:
YWQSTGCPZBJBEG-UHFFFAOYSA-N
SMILES:
O=C1C=CC(=O)N1c1ccc2c(c1)CN(CO2)c1ccccc1
Properties
Complexity:
494
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
306.1g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
306.321g/mol
Monoisotopic Mass:
306.1g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
49.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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