Cas no 5452-34-6 ( )
structure
Product Name:
Chemical and Physical Properties
Names and Identifiers
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- 10,10-dibenzylanthracen-9-one
- 10,10-dibenzyl-9(10H)-anthracenone
- 10,10-Dibenzyl-anthron
- 10,10-dibenzyl-anthrone
- 10,10-Dibenzylanthrone
- 10-Oxo-9.9-dibenzyl-anthracen-dihydrid-(9.10)
- 10-Oxo-9.9-dibenzyl-dihydroanthracen
- CTK1H1655
- ms.ms-Dibenzyl-anthron
- NSC18961
- SureCN7547211
- NSC-18961
- DTXSID10328303
- SCHEMBL7547211
- 5452-34-6
-
-
- Inchi： 1S/C28H22O/c29-27-23-15-7-9-17-25(23)28(19-21-11-3-1-4-12-21,20-22-13-5-2-6-14-22)26-18-10-8-16-24(26)27/h1-18H,19-20H2
- InChI Key： GDPNODKPUYAGCT-UHFFFAOYSA-N
- SMILES： O=C1C2C=CC=CC=2C(C2C=CC=CC=21)(CC1C=CC=CC=1)CC1C=CC=CC=1
Computed Properties
- Exact Mass: 374.16716
- Monoisotopic Mass: 374.167
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 29
- Rotatable Bond Count: 4
- Complexity: 505
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 7.1
- Topological Polar Surface Area: 17.1?2
Experimental Properties
- Density: 1.179
- Boiling Point: 541.2°C at 760 mmHg
- Flash Point: 234.9°C
- Refractive Index: 1.656
- PSA: 17.07
- LogP: 6.00250
Related Literature
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
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Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
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J. Xu,T. J. Carrocci,A. A. Hoskins Chem. Commun., 2016,52, 549-552
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