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17639-44-0 | 2H-3-Benzazepin-2-one, 1,3,4,5-tetrahydro-7-hydroxy-
CAS No: 17639-44-0 Catalog No: AG0024NW MDL No:
Product Description
Catalog Number:
AG0024NW
Chemical Name:
2H-3-Benzazepin-2-one, 1,3,4,5-tetrahydro-7-hydroxy-
CAS Number:
17639-44-0
Molecular Formula:
C10H11NO2
Molecular Weight:
177.1998
IUPAC Name:
8-hydroxy-1,2,3,5-tetrahydro-3-benzazepin-4-one
InChI:
InChI=1S/C10H11NO2/c12-9-2-1-7-6-10(13)11-4-3-8(7)5-9/h1-2,5,12H,3-4,6H2,(H,11,13)
InChI Key:
OPKJIYYGQXIQMX-UHFFFAOYSA-N
SMILES:
O=C1NCCc2c(C1)ccc(c2)O
Properties
Complexity:
205
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
177.079g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
177.203g/mol
Monoisotopic Mass:
177.079g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
49.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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