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106597-10-8 | 1H-Azirino[2',3':3,4]azeto[1,2-a]indole(9CI)
CAS No: 106597-10-8 Catalog No: AG007UMA MDL No:
Product Description
Catalog Number:
AG007UMA
Chemical Name:
1H-Azirino[2',3':3,4]azeto[1,2-a]indole(9CI)
CAS Number:
106597-10-8
Molecular Formula:
C10H6N2
Molecular Weight:
154.1680
IUPAC Name:
2,4-diazatetracyclo[6.4.0.02,6.03,5]dodeca-1(12),3(5),6,8,10-pentaene
InChI:
InChI=1S/C10H6N2/c1-2-4-7-6(3-1)5-8-9-10(11-9)12(7)8/h1-5,11H
InChI Key:
UODOZQYOQPMOIE-UHFFFAOYSA-N
SMILES:
c1ccc2c(c1)n1c(c2)c2=c1[nH]2
Properties
Complexity:
282
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
154.053g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
154.172g/mol
Monoisotopic Mass:
154.053g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
26.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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