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78393-53-0 | 2H-Furo[2,3,4-ij]isoquinoline(9CI)
CAS No: 78393-53-0 Catalog No: AG0053K3 MDL No:
Product Description
Catalog Number:
AG0053K3
Chemical Name:
2H-Furo[2,3,4-ij]isoquinoline(9CI)
CAS Number:
78393-53-0
Molecular Formula:
C10H7NO
Molecular Weight:
157.1687
IUPAC Name:
2-oxa-5-azatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaene
InChI:
InChI=1S/C10H7NO/c1-2-7-4-5-11-8-6-12-9(3-1)10(7)8/h1-5H,6H2
InChI Key:
VYGXLMFTYPGMIP-UHFFFAOYSA-N
SMILES:
c1cc2OCc3c2c(c1)ccn3
Properties
Complexity:
183
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
157.053g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
157.172g/mol
Monoisotopic Mass:
157.053g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
22.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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