AG005AGV

73942-87-7 | 7,8-Dimethoxy-1,3-dihydro-2H-3-benzazepin-2-one

AG005AGV

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CAS Number	73942-87-7
Catalog Number	AG005AGV(AGN-PC-0K5UNB)
Chemical Name	7,8-Dimethoxy-1,3-dihydro-2H-3-benzazepin-2-one
IUPAC Name	7,8-dimethoxy-1,3-dihydro-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)
InChI Key	CPNZASIAJKSBBH-UHFFFAOYSA-N
MDL Number	MFCD02091565
Molecular Formula	C12H13NO3
Molecular Weight	219.2365
SMILES	O=C1NC=CC2=CC(OC)=C(OC)C=C2C1
Synonyms	73942-87-7, 7,8-dimethoxy-1,3-dihydro-2H-3-benzazepin-2-one, 1,3-Dihydro-7,8-dimethoxy-2H-3-benzazepin-2-one, 7,8-dimethoxy-1,3-dihydro-3-benzazepin-2-one, 7,8-Dimethoxy-1,3-dihydro-2H-benzazepin-2-one, 7,8-dimethoxy-1H-benzo[d]azepin-2(3H)-one, 2H-3-Benzazepin-2-one, 1,3-dihydro-7,8-dimethoxy-, AK-40687, 7,8-dimethoxy-2,3-dihydro-1H-3-benzazepin-2-one, J-503905, AC1LS4UO, MLS000720765, SCHEMBL333847, SCHEMBL1533850, CHEMBL1305093, CTK5D8984, DTXSID10363259, CHEBI:109655, CPNZASIAJKSBBH-UHFFFAOYSA-N, HMS2708E18, BB_NC-02757, BCP10457, CS-B1125, KS-00000I4H, ZINC1395725, ZX-AT015374, ANW-54124, BBL029581, MFCD02091565, SBB095768, STL373037, AKOS015951200, AC-4648, ACN-047899, AN-1076, CD-1798, MCULE-4639716156, RP27193, AJ-25584, CJ-04894, SMR000336763, AB0031668, AB1008545, DB-074766, TC-142869, 7,8-dimethoxy-1H,3H-benzo[d]azepin-2-one, AM20090734, D4824, FT-0657505, ST24029851, X4818, M-8384, 1,3-Dihydro-7,8-dimethoxybenzo[d]azepin-2-one, 6X-0944, SR-01000307300, 2,3-dihydro-7,8-dimethoxy-2-oxo-1H-3-benzazepine, 7,8-dimethoxy-2-oxo-1,3-dihydro-2H-3-benzazepine, SR-01000307300-1, 2H-3-Benzazepin-2-one,1,3-dihydro-7,8-dimethoxy-, 7,8-dimethoxy-1,3-dihydro-2H-benzo[d]azepin-2-one, 7,8-Dimethoxy-2,3-dihydro-1H-3-benzoazepine-2-one, C12H13NO3, ZINC01395725, CID1482373, EC 456-160-0,

Complexity	290
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	219.09g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	219.24g/mol
Monoisotopic Mass	219.09g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	47.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard statements	H302-H315-H319-H335
Precuationary statements	P261-P305+P351+P338
Siginal words

Certificate of Analysis

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