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Home > Indoles and Oxindole > 89846-49-1
89846-49-1 | 3H-Pyrido[4,3-b]indol-3-one,2,5-dihydro-
CAS No: 89846-49-1 Catalog No: AG003XGK MDL No:
Product Description
Catalog Number:
AG003XGK
Chemical Name:
3H-Pyrido[4,3-b]indol-3-one,2,5-dihydro-
CAS Number:
89846-49-1
Molecular Formula:
C11H8N2O
Molecular Weight:
184.1940
IUPAC Name:
2,5-dihydropyrido[4,3-b]indol-3-one
InChI:
InChI=1S/C11H8N2O/c14-11-5-10-8(6-12-11)7-3-1-2-4-9(7)13-10/h1-6,13H,(H,12,14)
InChI Key:
LUOJTKRRSNAWKK-UHFFFAOYSA-N
SMILES:
Oc1ncc2c(c1)[nH]c1c2cccc1
Properties
Complexity:
343
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
184.064g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
184.198g/mol
Monoisotopic Mass:
184.064g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
41.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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