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832122-97-1 | 1,3-Dioxolo[4,5-g]quinolin-6(5H)-one, 8-phenyl-
CAS No: 832122-97-1 Catalog No: AG004ZB0 MDL No:
Product Description
Catalog Number:
AG004ZB0
Chemical Name:
1,3-Dioxolo[4,5-g]quinolin-6(5H)-one, 8-phenyl-
CAS Number:
832122-97-1
Molecular Formula:
C16H11NO3
Molecular Weight:
265.2634
IUPAC Name:
8-phenyl-5H-[1,3]dioxolo[4,5-g]quinolin-6-one
InChI:
InChI=1S/C16H11NO3/c18-16-7-11(10-4-2-1-3-5-10)12-6-14-15(20-9-19-14)8-13(12)17-16/h1-8H,9H2,(H,17,18)
InChI Key:
DWKXFZVHUDEBGY-UHFFFAOYSA-N
SMILES:
O=c1cc(c2ccccc2)c2c([nH]1)cc1c(c2)OCO1
Properties
Complexity:
427
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
265.074g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
265.268g/mol
Monoisotopic Mass:
265.074g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
47.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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