Home Other Building Blocks 6-METHOXY-2,3,4,5-TETRAHYDRO-1H-3-BENZAZEPIN-2-ONE

6-METHOXY-2,3,4,5-TETRAHYDRO-1H-3-BENZAZEPIN-2-ONE

CAS No.:
1782789-99-4
Catalog Number:
AG01DYX9
Molecular Formula:
C11H13NO2
Molecular Weight:
191.2264
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Product Description
Catalog Number:
AG01DYX9
Chemical Name:
6-METHOXY-2,3,4,5-TETRAHYDRO-1H-3-BENZAZEPIN-2-ONE
CAS Number:
1782789-99-4
Molecular Formula:
C11H13NO2
Molecular Weight:
191.2264
MDL Number:
MFCD24614554
IUPAC Name:
9-methoxy-1,2,3,5-tetrahydro-3-benzazepin-4-one
InChI:
InChI=1S/C11H13NO2/c1-14-10-4-2-3-8-7-11(13)12-6-5-9(8)10/h2-4H,5-7H2,1H3,(H,12,13)
InChI Key:
FHJQXTQHDKCDIZ-UHFFFAOYSA-N
SMILES:
COc1cccc2c1CCNC(=O)C2
Properties
Complexity:
217  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
191.095g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
191.23g/mol
Monoisotopic Mass:
191.095g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1  
Properties