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50779-79-8 | 1,3-Dioxolo[4,5-g]quinolin-6(5H)-one, 7-ethenyl-
CAS No: 50779-79-8 Catalog No: AG006VTH MDL No:
Product Description
Catalog Number:
AG006VTH
Chemical Name:
1,3-Dioxolo[4,5-g]quinolin-6(5H)-one, 7-ethenyl-
CAS Number:
50779-79-8
Molecular Formula:
C12H9NO3
Molecular Weight:
215.2048
IUPAC Name:
7-ethenyl-5H-[1,3]dioxolo[4,5-g]quinolin-6-one
InChI:
InChI=1S/C12H9NO3/c1-2-7-3-8-4-10-11(16-6-15-10)5-9(8)13-12(7)14/h2-5H,1,6H2,(H,13,14)
InChI Key:
XXIGPVANIZBBCU-UHFFFAOYSA-N
SMILES:
C=Cc1cc2cc3OCOc3cc2[nH]c1=O
Properties
Complexity:
363
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
215.058g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
215.208g/mol
Monoisotopic Mass:
215.058g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
47.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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