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126877-32-5 | 6,8-Methanoisoquinoline (9CI)
CAS No: 126877-32-5 Catalog No: AG000TEI MDL No:
Product Description
Catalog Number:
AG000TEI
Chemical Name:
6,8-Methanoisoquinoline (9CI)
CAS Number:
126877-32-5
Molecular Formula:
C10H7N
Molecular Weight:
141.1693
IUPAC Name:
4-azatricyclo[7.1.1.02,7]undeca-1,3,5,7,9-pentaene
InChI:
InChI=1S/C10H7N/c1-2-11-6-10-8(1)3-7-4-9(10)5-7/h1-4,6H,5H2
InChI Key:
UFYAFTNDGLCOHP-UHFFFAOYSA-N
SMILES:
c1ncc2c(c1)cc1Cc2c1
Properties
Complexity:
166
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
141.058g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
141.173g/mol
Monoisotopic Mass:
141.058g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
12.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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