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23989-28-8 | Pyrimido[1,6-a]indole
CAS No: 23989-28-8 Catalog No: AG006XNY MDL No:
Product Description
Catalog Number:
AG006XNY
Chemical Name:
Pyrimido[1,6-a]indole
CAS Number:
23989-28-8
Molecular Formula:
C11H8N2
Molecular Weight:
168.1946
IUPAC Name:
pyrimido[1,6-a]indole
InChI:
InChI=1S/C11H8N2/c1-2-4-11-9(3-1)7-10-5-6-12-8-13(10)11/h1-8H
InChI Key:
WDCPLBSPKVCZDV-UHFFFAOYSA-N
SMILES:
c1ncn2c(c1)cc1c2cccc1
Properties
Complexity:
193
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
168.069g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
168.199g/mol
Monoisotopic Mass:
168.069g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
17.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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