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245-46-5 | Pyrimido[1,2-a]indole (8CI,9CI)
CAS No: 245-46-5 Catalog No: AG002OCA MDL No:
Product Description
Catalog Number:
AG002OCA
Chemical Name:
Pyrimido[1,2-a]indole (8CI,9CI)
CAS Number:
245-46-5
Molecular Formula:
C11H8N2
Molecular Weight:
168.1946
IUPAC Name:
pyrimido[1,2-a]indole
InChI:
InChI=1S/C11H8N2/c1-2-5-10-9(4-1)8-11-12-6-3-7-13(10)11/h1-8H
InChI Key:
HBBKFNCURJQICW-UHFFFAOYSA-N
SMILES:
c1ccn2c(n1)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:
3.1
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