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142135-05-5 | 1,5-METHANOISOQUINOLINE
CAS No: 142135-05-5 Catalog No: AG007YZR MDL No:
Product Description
Catalog Number:
AG007YZR
Chemical Name:
1,5-METHANOISOQUINOLINE
CAS Number:
142135-05-5
Molecular Formula:
C10H7N
Molecular Weight:
141.1693
IUPAC Name:
4-azatricyclo[5.4.0.03,8]undeca-1(7),3,5,8,10-pentaene
InChI:
InChI=1S/C10H7N/c1-2-7-6-10-9(3-1)8(7)4-5-11-10/h1-5H,6H2
InChI Key:
KDXXZIJQXTWOLF-UHFFFAOYSA-N
SMILES:
c1cc2Cc3c(c1)c2ccn3
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:
2.1
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