Cas no 16277-49-9 (Benz[a]anthracene,4-methoxy-7,12-dimethyl-)
![Benz[a]anthracene,4-methoxy-7,12-dimethyl- structure](https://ossimg.kuujia.com/scimg/16500/16277-49-9x500.png)
16277-49-9 structure
Product Name:Benz[a]anthracene,4-methoxy-7,12-dimethyl-
CAS No:16277-49-9
MF:C21H18O
MW:286.367025852203
CID:165047
PubChem ID:152138
Update Time:2025-04-19
Benz[a]anthracene,4-methoxy-7,12-dimethyl- Chemical and Physical Properties
Names and Identifiers
-
- Benz[a]anthracene,4-methoxy-7,12-dimethyl-
- 4-methoxy-7,12-dimethylbenz(a)anthracene
- 4-methoxy-7,12-dimethylbenzo[a]anthracene
- 4-methoxy-7,12-dimethyltetraphene
- 4-Methoxy-dmba
- Benz(a)anthracene, 4-methoxy-7,12-dimethyl-
- Benz(a)anthracene, 7,12-dimethyl-4-methoxy-
- 16277-49-9
- DTXSID50167470
-
- Inchi： 1S/C21H18O/c1-13-15-7-4-5-8-16(15)14(2)21-17(13)11-12-18-19(21)9-6-10-20(18)22-3/h4-12H,1-3H3
- InChI Key： LJLLJQAPUIVZJF-UHFFFAOYSA-N
- SMILES： O(C)C1=CC=CC2=C1C=CC1=C(C)C3C=CC=CC=3C(C)=C12
Computed Properties
- Exact Mass: 286.13584
- Monoisotopic Mass: 286.136
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 22
- Rotatable Bond Count: 1
- Complexity: 391
- 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: 6.9
- Topological Polar Surface Area: 9.2?2
Experimental Properties
- Density: 1.0402 (rough estimate)
- Boiling Point: 388.73°C (rough estimate)
- Flash Point: 204.7°C
- Refractive Index: 1.4880 (estimate)
- PSA: 9.23
Benz[a]anthracene,4-methoxy-7,12-dimethyl- Related Literature
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Eléonore Resongles,Corinne Casiot,Fran?oise Elbaz-Poulichet,Rémi Freydier,Odile Bruneel,Christine Piot,Sophie Delpoux,Aurélie Volant,Angélique Desoeuvre Environ. Sci.: Processes Impacts, 2013,15, 1536-1544
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Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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5. 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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