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73554-46-8 | 4H-Azocino[5,4-b]indol-4-one, 1,2,3,5,6,7-hexahydro-
CAS No: 73554-46-8 Catalog No: AG005CQK MDL No:
Product Description
Catalog Number:
AG005CQK
Chemical Name:
4H-Azocino[5,4-b]indol-4-one, 1,2,3,5,6,7-hexahydro-
CAS Number:
73554-46-8
Molecular Formula:
C13H14N2O
Molecular Weight:
214.2631
IUPAC Name:
1,2,3,5,6,7-hexahydroazocino[5,4-b]indol-4-one
InChI:
InChI=1S/C13H14N2O/c16-13-6-5-12-10(7-8-14-13)9-3-1-2-4-11(9)15-12/h1-4,15H,5-8H2,(H,14,16)
InChI Key:
QLZKMMUJNQUOFT-UHFFFAOYSA-N
SMILES:
O=C1NCCc2c(CC1)[nH]c1c2cccc1
Properties
Complexity:
279
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
214.111g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
214.268g/mol
Monoisotopic Mass:
214.111g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
44.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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