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15987-50-5 | 2H-3-Benzazepin-2-one, 1,3,4,5-tetrahydro-
CAS No: 15987-50-5 Catalog No: AG001RGY MDL No:MFCD00456134
Product Description
Catalog Number:
AG001RGY
Chemical Name:
2H-3-Benzazepin-2-one, 1,3,4,5-tetrahydro-
CAS Number:
15987-50-5
Molecular Formula:
C10H11NO
Molecular Weight:
161.2004
MDL Number:
MFCD00456134
IUPAC Name:
1,2,3,5-tetrahydro-3-benzazepin-4-one
InChI:
InChI=1S/C10H11NO/c12-10-7-9-4-2-1-3-8(9)5-6-11-10/h1-4H,5-7H2,(H,11,12)
InChI Key:
GYIYVTGAOWHWRI-UHFFFAOYSA-N
SMILES:
O=C1NCCc2c(C1)cccc2
Properties
Complexity:
179
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
161.084g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
161.204g/mol
Monoisotopic Mass:
161.084g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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