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102586-88-9 | 1,5-Ethano-2H-1-benzazepin-2-one, 1,3,4,5-tetrahydro-
CAS No: 102586-88-9 Catalog No: AG0007UH MDL No:
Product Description
Catalog Number:
AG0007UH
Chemical Name:
1,5-Ethano-2H-1-benzazepin-2-one, 1,3,4,5-tetrahydro-
CAS Number:
102586-88-9
Molecular Formula:
C12H13NO
Molecular Weight:
187.2377
IUPAC Name:
1-azatricyclo[6.3.2.02,7]trideca-2,4,6-trien-11-one
InChI:
InChI=1S/C12H13NO/c14-12-6-5-9-7-8-13(12)11-4-2-1-3-10(9)11/h1-4,9H,5-8H2
InChI Key:
GFZNAWWRFBAQJN-UHFFFAOYSA-N
SMILES:
O=C1CCC2CCN1c1ccccc21
Properties
Complexity:
251
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
187.1g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
187.242g/mol
Monoisotopic Mass:
187.1g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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