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16078-37-8 | 1, 2, 3, 4, 5, 6-HEXAHYDROPYRROLO [3,2,1-I,J] QUINOLONE-2
CAS No: 16078-37-8 Catalog No: AG00AOY4 MDL No:MFCD08693146
Product Description
Catalog Number:
AG00AOY4
Chemical Name:
1, 2, 3, 4, 5, 6-HEXAHYDROPYRROLO [3,2,1-I,J] QUINOLONE-2
CAS Number:
16078-37-8
Molecular Formula:
C11H11NO
Molecular Weight:
173.2111
MDL Number:
MFCD08693146
IUPAC Name:
1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-one
InChI:
InChI=1S/C11H11NO/c13-10-7-9-4-1-3-8-5-2-6-12(10)11(8)9/h1,3-4H,2,5-7H2
InChI Key:
HJJITGDIXLDFIX-UHFFFAOYSA-N
SMILES:
O=C1Cc2c3N1CCCc3ccc2
Properties
Complexity:
238
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
173.084g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
173.215g/mol
Monoisotopic Mass:
173.084g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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