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100190-87-2 | 9-Azatetracyclo[5.4.0.02,4.03,6]undeca-7,9,11-triene
CAS No: 100190-87-2 Catalog No: AG00016S MDL No:
Product Description
Catalog Number:
AG00016S
Chemical Name:
9-Azatetracyclo[5.4.0.02,4.03,6]undeca-7,9,11-triene
CAS Number:
100190-87-2
Molecular Formula:
C10H9N
Molecular Weight:
143.1852
IUPAC Name:
9-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)9-7-3-6(8)10(7)9/h1-2,4,6-7,9-10H,3H2
InChI Key:
QNCDVUXUYRVGJJ-UHFFFAOYSA-N
SMILES:
n1ccc2c(c1)C1CC3C2C13
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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