Registration Dossier

General information

Inventory

No inventory information available

Reference substance information

IUPAC name:
7-(propan-2-yl)-3,4-dihydro-2H-1,5-benzodioxepin-3-one
Synonyms
Names:
7-(1-Methylethyl)-2H-1,5-benzodioxepin-3(4H)-one
Identifier:
CAS number
950919-28-5
Identifier:
IUPAC name
7-Isopropyl-2H,4H-1,5-benzodioxepin-3-one
Identifier:
other: SMILES notation
O=C1COC2=CC(C(C)C)=CC=C2OC1
7-isopropyl-2H-1,5-benzodioxepin-3(4H)-one

CAS information

CAS number:
950919-28-5

Molecular and structural information

Molecular formula:
C12H14O3
Molecular weight:
206.2
SMILES notation:
CC(C)C1=CC(OCC2=O)=C(OC2)C=C1
InChl:
InChI=1S/C12H14O3/c1-8(2)9-3-4-11-12(5-9)15-7-10(13)6-14-11/h3-5,8H,6-7H2,1-2H3
Structural formula:
Chemical structure