Cas no 29873-25-4 (Benz[j]aceanthrylene,1,2-dihydro-6-methyl- (9CI))
![Benz[j]aceanthrylene,1,2-dihydro-6-methyl- (9CI) structure](https://ossimg.kuujia.com/scimg/30000/29873-25-4x500.png)
29873-25-4 structure
Product Name:Benz[j]aceanthrylene,1,2-dihydro-6-methyl- (9CI)
Benz[j]aceanthrylene,1,2-dihydro-6-methyl- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- Benz[j]aceanthrylene,1,2-dihydro-6-methyl- (9CI)
- 6-methyl-1,2-dihydrobenzo[j]aceanthrylene
- 6-MCA
- 6-methylcholanthrene
- 29873-25-4
- DTXSID30183991
- CHEMBL289362
- Benz(j)aceanthrylene, 1,2-dihydro-6-methyl-
-
- Inchi： 1S/C21H16/c1-13-16-8-4-6-15-10-12-19(21(15)16)18-11-9-14-5-2-3-7-17(14)20(13)18/h2-9,11H,10,12H2,1H3
- InChI Key： PCOGMMKGBNBIQC-UHFFFAOYSA-N
- SMILES： C12C3C=CC4C=CC=CC=4C=3C(C)=C3C=CC=C(CC1)C=23
Computed Properties
- Exact Mass: 268.12500
- Monoisotopic Mass: 268.125201
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 0
- Heavy Atom Count: 21
- Rotatable Bond Count: 0
- Complexity: 399
- 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: 0
- XLogP3: 6.3
Experimental Properties
- Density: 1.223
- Boiling Point: 505.6°Cat760mmHg
- Flash Point: 252.7°C
- Refractive Index: 1.781
- PSA: 0.00000
- LogP: 5.55320
Benz[j]aceanthrylene,1,2-dihydro-6-methyl- (9CI) Related Literature
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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Qiyuan Wu,Shangmin Xiong,Peichuan Shen,Shen Zhao,Alexander Orlov Catal. Sci. Technol., 2015,5, 2059-2064
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5. Exclusive enantioselective recognition of glucopyranosides by inherently chiral hemicryptophanes?Olivier Perraud,Alexandre Martinez,Jean-Pierre Dutasta Chem. Commun., 2011,47, 5861-5863
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