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100190-88-3 | 10-Azatetracyclo[5.4.0.02,4.03,6]undeca-7,9,11-triene
CAS No: 100190-88-3 Catalog No: AG00016R MDL No:
Product Description
Catalog Number:
AG00016R
Chemical Name:
10-Azatetracyclo[5.4.0.02,4.03,6]undeca-7,9,11-triene
CAS Number:
100190-88-3
Molecular Formula:
C10H9N
Molecular Weight:
143.1852
IUPAC Name:
10-azatetracyclo[5.4.0.02,4.03,6]undeca-1(7),8,10-triene
InChI:
InChI=1S/C10H9N/c1-2-11-4-8-5(1)6-3-7-9(6)10(7)8/h1-2,4,6-7,9-10H,3H2
InChI Key:
ILAPIKQWNJCFLQ-UHFFFAOYSA-N
SMILES:
n1ccc2c(c1)C1C3C1C2C3
Properties
Complexity:
213
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
143.073g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
143.189g/mol
Monoisotopic Mass:
143.073g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
12.9A^2
Undefined Atom Stereocenter Count:
4
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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