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113163-23-8 | Oxireno[5,6]benzo[1,2-h]quinoline,1a,2,3,9b-tetrahydro-
CAS No: 113163-23-8 Catalog No: AG0082CH MDL No:
Product Description
Catalog Number:
AG0082CH
Chemical Name:
Oxireno[5,6]benzo[1,2-h]quinoline,1a,2,3,9b-tetrahydro-
CAS Number:
113163-23-8
Molecular Formula:
C13H11NO
Molecular Weight:
197.2325
IUPAC Name:
12-oxa-3-azatetracyclo[8.5.0.02,7.011,13]pentadeca-1(10),2(7),3,5,8-pentaene
InChI:
InChI=1S/C13H11NO/c1-2-8-3-4-10-9(12(8)14-7-1)5-6-11-13(10)15-11/h1-4,7,11,13H,5-6H2
InChI Key:
VGLPPIUHVIBHNG-UHFFFAOYSA-N
SMILES:
c1ccc2c(n1)c1CCC3C(c1cc2)O3
Properties
Complexity:
267
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
197.084g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
197.237g/mol
Monoisotopic Mass:
197.084g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
25.4A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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