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7,8-dimethoxy-1,3-dihydro-3-benzazepin-2-one

7,8-dimethoxy-1,3-dihydro-3-benzazepin-2-one

CAS: 73942-87-7

Formula: C12H13NO3

SMILES: COC1=C(OC)C=C2C=CNC(=O)CC2=C1

IUPAC: 7,8-dimethoxy-2,3-dihydro-1H-3-benzazepin-2-one

InChI: InChI=1S/C12H13NO3/c1-15-10-5-8-3-4-13-12(14)7-9(8)6-11(10)16-2/h3-6H,7H2,1-2H3,(H,13,14)

Composition: C (65.74%), H (5.98%), N (6.39%), O (21.89%)

Molar Mass: 219.24

Atom Count: 29

Heavy Atom Count: 16

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 219.089543283
Formal Charge 0
FSP3 0.25
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey CPNZASIAJKSBBH-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 60.41
Topological Polar Surface Area 47.56
Polarizability 22.97
Ring Count 2
Rotatable Bond Count 2

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