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Home > Indoles and Oxindole > 205243-92-1
205243-92-1 | [1,4]Oxazepino[5,4-a]isoindole-2,7-dione, 4,5-dihydro-1-phenyl-
CAS No: 205243-92-1 Catalog No: AG0029Y5 MDL No:
Product Description
Catalog Number:
AG0029Y5
Chemical Name:
[1,4]Oxazepino[5,4-a]isoindole-2,7-dione, 4,5-dihydro-1-phenyl-
CAS Number:
205243-92-1
Molecular Formula:
C18H13NO3
Molecular Weight:
291.3007
IUPAC Name:
1-phenyl-4,5-dihydro-[1,4]oxazepino[4,5-b]isoindole-2,7-dione
InChI:
InChI=1S/C18H13NO3/c20-17-14-9-5-4-8-13(14)16-15(12-6-2-1-3-7-12)18(21)22-11-10-19(16)17/h1-9H,10-11H2
InChI Key:
SAXLVZIOIDFJEY-UHFFFAOYSA-N
SMILES:
O=C1OCCN2C(=C1c1ccccc1)c1ccccc1C2=O
Properties
Complexity:
518
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
291.09g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
291.306g/mol
Monoisotopic Mass:
291.09g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
46.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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