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918158-20-0 | 1H-Indene-1,3(2H)-dione, 2-(2-benzoxazolyl)-
CAS No: 918158-20-0 Catalog No: AG006LAH MDL No:
Product Description
Catalog Number:
AG006LAH
Chemical Name:
1H-Indene-1,3(2H)-dione, 2-(2-benzoxazolyl)-
CAS Number:
918158-20-0
Molecular Formula:
C16H9NO3
Molecular Weight:
263.2476
IUPAC Name:
2-(1,3-benzoxazol-2-yl)indene-1,3-dione
InChI:
InChI=1S/C16H9NO3/c18-14-9-5-1-2-6-10(9)15(19)13(14)16-17-11-7-3-4-8-12(11)20-16/h1-8,13H
InChI Key:
GOGPPUALSKYEHW-UHFFFAOYSA-N
SMILES:
O=C1C(c2nc3c(o2)cccc3)C(=O)c2c1cccc2
Properties
Complexity:
411
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
263.058g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
263.252g/mol
Monoisotopic Mass:
263.058g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
60.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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