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20952-52-7 | Benzo[6,7]cyclohept[1,2,3-de]isoquinoline, 8,9-dihydro-
CAS No: 20952-52-7 Catalog No: AG002KAB MDL No:
Product Description
Catalog Number:
AG002KAB
Chemical Name:
Benzo[6,7]cyclohept[1,2,3-de]isoquinoline, 8,9-dihydro-
CAS Number:
20952-52-7
Molecular Formula:
C17H13N
Molecular Weight:
231.2918
IUPAC Name:
16-azatetracyclo[8.7.1.02,7.014,18]octadeca-1(18),2,4,6,10,12,14,16-octaene
InChI:
InChI=1S/C17H13N/c1-2-7-15-12(4-1)8-9-13-5-3-6-14-10-18-11-16(15)17(13)14/h1-7,10-11H,8-9H2
InChI Key:
WXGWFHOWDMZSKV-UHFFFAOYSA-N
SMILES:
c1ccc2c(c1)CCc1c3c2cncc3ccc1
Properties
Complexity:
300
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.105g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
231.298g/mol
Monoisotopic Mass:
231.105g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
12.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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