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198-56-1 | Phenaleno[1,2,3-de]quinoline
CAS No: 198-56-1 Catalog No: AG002B8I MDL No:
Product Description
Catalog Number:
AG002B8I
Chemical Name:
Phenaleno[1,2,3-de]quinoline
CAS Number:
198-56-1
Molecular Formula:
C19H11N
Molecular Weight:
253.2973
IUPAC Name:
5-azapentacyclo[9.7.1.12,6.015,19.010,20]icosa-1(18),2,4,6,8,10(20),11,13,15(19),16-decaene
InChI:
InChI=1S/C19H11N/c1-4-12-5-2-7-14-16-10-11-20-17-9-3-8-15(19(16)17)13(6-1)18(12)14/h1-11H
InChI Key:
VGGQEKHBLVKNIO-UHFFFAOYSA-N
SMILES:
c1cc2cccc3c2c(c1)c1cccc2c1c3ccn2
Properties
Complexity:
378
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.089g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
253.304g/mol
Monoisotopic Mass:
253.089g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
12.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
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