Methyl benzodioxepinone

Catalog	ACM28940116
CAS	28940-11-6
Structure
Synonyms	Watermelon ketone
IUPAC Name	7-Methyl-1,5-benzodioxepin-3-one
Molecular Weight	178.18
Molecular Formula	C10H10O3
Canonical SMILES	CC1=CC2=C(C=C1)OCC(=O)CO2
InChI	InChI=1S/C10H10O3/c1-7-2-3-9-10(4-7)13-6-8(11)5-12-9/h2-4H,5-6H2,1H3
InChI Key	SWUIQEBPZIHZQS-UHFFFAOYSA-N
Boiling Point	91 °C
Melting Point	37-41 °C
Purity	98%+
Density	1.196±0.06 g/cm³
Exact Mass	178.062994177
Monoisotopic Mass	178.062994177
Physical State	Solid
Storage Conditions	Inert atmosphere,2-8 °C
Topological Polar Surface Area	35.5 Ų