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66788-83-8 | 1,3-Isobenzofurandione, 5-(5-phenyl-2-oxazolyl)-
CAS No: 66788-83-8 Catalog No: AG00H6D9 MDL No:
Product Description
Catalog Number:
AG00H6D9
Chemical Name:
1,3-Isobenzofurandione, 5-(5-phenyl-2-oxazolyl)-
CAS Number:
66788-83-8
Molecular Formula:
C17H9NO4
Molecular Weight:
291.2577
IUPAC Name:
5-(5-phenyl-1,3-oxazol-2-yl)-2-benzofuran-1,3-dione
InChI:
InChI=1S/C17H9NO4/c19-16-12-7-6-11(8-13(12)17(20)22-16)15-18-9-14(21-15)10-4-2-1-3-5-10/h1-9H
InChI Key:
NIXMLSZRKFOVNV-UHFFFAOYSA-N
SMILES:
O=C1OC(=O)c2c1cc(cc2)c1ncc(o1)c1ccccc1
Properties
Complexity:
460
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
291.053g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
291.262g/mol
Monoisotopic Mass:
291.053g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
69.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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