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20925-64-8 | 2H-3-Benzazepin-2-one, 1,3,4,5-tetrahydro-7,8-dimethoxy-
CAS No: 20925-64-8 Catalog No: AG002K50 MDL No:MFCD01830853
Product Description
Catalog Number:
AG002K50
Chemical Name:
2H-3-Benzazepin-2-one, 1,3,4,5-tetrahydro-7,8-dimethoxy-
CAS Number:
20925-64-8
Molecular Formula:
C12H15NO3
Molecular Weight:
221.2524
MDL Number:
MFCD01830853
IUPAC Name:
7,8-dimethoxy-1,2,3,5-tetrahydro-3-benzazepin-4-one
InChI:
InChI=1S/C12H15NO3/c1-15-10-5-8-3-4-13-12(14)7-9(8)6-11(10)16-2/h5-6H,3-4,7H2,1-2H3,(H,13,14)
InChI Key:
RXKTVGMZJMDNLF-UHFFFAOYSA-N
SMILES:
COc1cc2CC(=O)NCCc2cc1OC
Properties
Complexity:
257
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.105g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
221.256g/mol
Monoisotopic Mass:
221.105g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
47.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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