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24188-76-9 | [1,3]Dioxolo[4,5-g]isoquinolin-5(6H);-one
CAS No: 24188-76-9 Catalog No: AG006X5X MDL No:MFCD08234614
Product Description
Catalog Number:
AG006X5X
Chemical Name:
[1,3]Dioxolo[4,5-g]isoquinolin-5(6H);-one
CAS Number:
24188-76-9
Molecular Formula:
C10H7NO3
Molecular Weight:
189.1675
MDL Number:
MFCD08234614
IUPAC Name:
6H-[1,3]dioxolo[4,5-g]isoquinolin-5-one
InChI:
InChI=1S/C10H7NO3/c12-10-7-4-9-8(13-5-14-9)3-6(7)1-2-11-10/h1-4H,5H2,(H,11,12)
InChI Key:
FZERPBZADBNRMF-UHFFFAOYSA-N
SMILES:
O=c1[nH]ccc2c1cc1OCOc1c2
Properties
Complexity:
289
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
189.043g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
189.17g/mol
Monoisotopic Mass:
189.043g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
47.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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