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66788-90-7 | 1,3-Isobenzofurandione, 5-[5-(2-naphthalenyl)-2-oxazolyl]-
CAS No: 66788-90-7 Catalog No: AG00H61W MDL No:
Product Description
Catalog Number:
AG00H61W
Chemical Name:
1,3-Isobenzofurandione, 5-[5-(2-naphthalenyl)-2-oxazolyl]-
CAS Number:
66788-90-7
Molecular Formula:
C21H11NO4
Molecular Weight:
341.3163
IUPAC Name:
5-(5-naphthalen-2-yl-1,3-oxazol-2-yl)-2-benzofuran-1,3-dione
InChI:
InChI=1S/C21H11NO4/c23-20-16-8-7-15(10-17(16)21(24)26-20)19-22-11-18(25-19)14-6-5-12-3-1-2-4-13(12)9-14/h1-11H
InChI Key:
LKMJTQHPUWTNML-UHFFFAOYSA-N
SMILES:
O=C1OC(=O)c2c1ccc(c2)c1ncc(o1)c1ccc2c(c1)cccc2
Properties
Complexity:
578
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
341.069g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
341.322g/mol
Monoisotopic Mass:
341.069g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
69.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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