Name: Name:8-methoxy-2,2-dimethyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-5-one
Brand: Angene
SKU: AG01C3SG
Rating: 90 (10 reviews)

8-methoxy-2,2-dimethyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-5-one

CAS No.:

144537-22-4

Catalog Number:

AG01C3SG

Molecular Formula:

C12H15NO3

Molecular Weight:

221.2524

Catalog Number:

AG01C3SG

Chemical Name:

8-methoxy-2,2-dimethyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-5-one

CAS Number:

144537-22-4

Molecular Formula:

C12H15NO3

Molecular Weight:

221.2524

MDL Number:

MFCD00219083

IUPAC Name:

8-methoxy-2,2-dimethyl-3,4-dihydro-1,4-benzoxazepin-5-one

InChI:

InChI=1S/C12H15NO3/c1-12(2)7-13-11(14)9-5-4-8(15-3)6-10(9)16-12/h4-6H,7H2,1-3H3,(H,13,14)

InChI Key:

QYPIDESYIFBZDQ-UHFFFAOYSA-N

SMILES:

COc1ccc2c(c1)OC(C)(C)CNC2=O

Complexity:

277

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

221.105g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

221.256g/mol

Monoisotopic Mass:

221.105g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

47.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.5