Name: Name:1-(3,4-Dihydro-2H-benzo[b][1,4]dioxepin-7-yl)ethanone
Brand: Angene
SKU: AG003CW0
Rating: 90 (10 reviews)

1-(3,4-Dihydro-2H-benzo[b][1,4]dioxepin-7-yl)ethanone

CAS No.:

22776-09-6

Catalog Number:

AG003CW0

Molecular Formula:

C11H12O3

Molecular Weight:

192.2112

Catalog Number:

AG003CW0

Chemical Name:

1-(3,4-Dihydro-2H-benzo[b][1,4]dioxepin-7-yl)ethanone

CAS Number:

22776-09-6

Molecular Formula:

C11H12O3

Molecular Weight:

192.2112

MDL Number:

MFCD00114700

IUPAC Name:

1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethanone

InChI:

InChI=1S/C11H12O3/c1-8(12)9-3-4-10-11(7-9)14-6-2-5-13-10/h3-4,7H,2,5-6H2,1H3

InChI Key:

VGRSZNPWUZDPCH-UHFFFAOYSA-N

SMILES:

CC(=O)c1ccc2c(c1)OCCCO2

Complexity:

215

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

192.079g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

192.214g/mol

Monoisotopic Mass:

192.079g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

35.5A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.9