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53921-73-6 | 1,2,3,7,8,8a-hexahydrocyclopenta[ij]isoquinoline
CAS No: 53921-73-6 Catalog No: AG00DJA5 MDL No:
Product Description
Catalog Number:
AG00DJA5
Chemical Name:
1,2,3,7,8,8a-hexahydrocyclopenta[ij]isoquinoline
CAS Number:
53921-73-6
IUPAC Name:
5-azatricyclo[6.3.1.04,12]dodeca-1(12),8,10-triene
InChI:
InChI=1S/C11H13N/c1-2-8-4-5-10-11(8)9(3-1)6-7-12-10/h1-3,10,12H,4-7H2
InChI Key:
DERXXZAOHFJKSL-UHFFFAOYSA-N
Properties
Complexity:
178
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
159.105g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
159.232g/mol
Monoisotopic Mass:
159.105g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
12A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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