CAS Registry Number®
826-73-3
CAS Name
Benzosuberone
Molecular Formula
C11H12O
Molecular Mass
160.21
Compound Properties
-
Boiling Point (1)
158 °C @ Press: 20 Torr
-
Melting Point (2)
81-82 °C
-
Density (3)
1.071 g/cm³
Source(s)
- (1) Christol, H.; Bulletin de la Societe Chimique de France, (1959), 1238-43, CAplus
- (2) Hay, Michael P.; Journal of Medicinal Chemistry, (2008), 51(21), 6853-6865, CAplus
- (3) Miranda, Margarida S.; Journal of Chemical Thermodynamics, (2010), 42(9), 1094-1100, CAplus
Other Names and Identifiers
InChI
InChI=1S/C11H12O/c12-11-8-4-2-6-9-5-1-3-7-10(9)11/h1,3,5,7H,2,4,6,8H2
InChIKey
InChIKey=KWHUHTFXMNQHAA-UHFFFAOYSA-N
SMILES
O=C1C=2C(=CC=CC2)CCCC1
Canonical SMILES
O=C1C=2C=CC=CC2CCCC1
Other Names for this Substance
- 5H-Benzocyclohepten-5-one, 6,7,8,9-tetrahydro-
- 6,7,8,9-Tetrahydro-5H-benzocyclohepten-5-one
- 1-Benzosuberanone
- Benzo[b]cycloheptan-1-one
- α-Benzosuberone
Deleted or Replaced CAS Registry Numbers
168099-12-5
