Cas no 4643-78-1 (Ethanone,1-benzo[a]pyren-1-yl- (9CI))
![Ethanone,1-benzo[a]pyren-1-yl- (9CI) structure](https://ossimg.kuujia.com/scimg/5000/4643-78-1x500.png)
4643-78-1 structure
Product Name:Ethanone,1-benzo[a]pyren-1-yl- (9CI)
CAS No:4643-78-1
MF:C23H16O
MW:308.372546195984
CID:332842
PubChem ID:6452055
Update Time:2025-04-19
Ethanone,1-benzo[a]pyren-1-yl- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- Ethanone,1-benzo[a]pyren-1-yl- (9CI)
- 1-benzo[a]pyren-1-ylpropan-2-one
- Ketone, benzo(a)pyren-1-yl methyl-
- 4643-78-1
- DTXSID50196841
-
- Inchi： 1S/C23H16O/c1-14(24)12-17-8-6-15-7-9-18-13-16-4-2-3-5-19(16)21-11-10-20(17)22(15)23(18)21/h2-11,13H,12H2,1H3
- InChI Key： BCNOLVWIYBZZOG-UHFFFAOYSA-N
- SMILES： O=C(C)CC1C=CC2=CC=C3C=C4C=CC=CC4=C4C=CC=1C2=C43
Computed Properties
- Exact Mass: 308.12018
- Monoisotopic Mass: 308.120115
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 24
- Rotatable Bond Count: 2
- Complexity: 496
- 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
- Topological Polar Surface Area: 17.1
- XLogP3: 5.9
Experimental Properties
- Density: 1.271
- Boiling Point: 530.8°C at 760 mmHg
- Flash Point: 265.7°C
- Refractive Index: 1.808
- PSA: 17.07
Ethanone,1-benzo[a]pyren-1-yl- (9CI) Related Literature
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Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
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2. Fatty acid eutectic mixtures and derivatives from non-edible animal fat as phase change materials?Pau Gallart-Sirvent,Marc Martín,Gemma Villorbina,Mercè Balcells,Aran Solé,Luisa F. Cabeza,Ramon Canela-Garayoa RSC Adv., 2017,7, 24133-24139
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Joseph W. Bennett,Diamond T. Jones,Blake G. Hudson,Joshua Melendez-Rivera,Robert J. Hamers,Sara E. Mason Environ. Sci.: Nano, 2020,7, 1642-1651
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Nan Fu,Naphaporn Chiewchan,Xiao Dong Chen Food Funct., 2020,11, 211-220
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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