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234-17-3 | 1,3-Dioxolo[4,5-h]isoquinoline (8CI,9CI)
CAS No: 234-17-3 Catalog No: AG002N3D MDL No:MFCD03792800
Product Description
Catalog Number:
AG002N3D
Chemical Name:
1,3-Dioxolo[4,5-h]isoquinoline (8CI,9CI)
CAS Number:
234-17-3
Molecular Formula:
C10H7NO2
Molecular Weight:
173.1681
MDL Number:
MFCD03792800
IUPAC Name:
[1,3]dioxolo[4,5-h]isoquinoline
InChI:
InChI=1S/C10H7NO2/c1-2-9-10(13-6-12-9)8-5-11-4-3-7(1)8/h1-5H,6H2
InChI Key:
FXTARQRVLSCDLK-UHFFFAOYSA-N
SMILES:
C1Oc2c(O1)c1cnccc1cc2
Properties
Complexity:
197
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
173.048g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
173.171g/mol
Monoisotopic Mass:
173.048g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
31.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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