Cas no 71431-97-5 (5-Chrysenecarboxylicacid, methyl ester)
71431-97-5 structure
Product Name:5-Chrysenecarboxylicacid, methyl ester
CAS No:71431-97-5
MF:C20H14O2
MW:286.323965549469
CID:576507
PubChem ID:51317
Update Time:2025-04-19
5-Chrysenecarboxylicacid, methyl ester Chemical and Physical Properties
Names and Identifiers
-
- 5-Chrysenecarboxylicacid, methyl ester
- methyl chrysene-5-carboxylate
- 71431-97-5
- CHEMBL3230489
- 5-(Carboxymethyl)chrysene
- DTXSID40991807
- 5-CHRYSENECARBOXYLIC ACID, METHYL ESTER
- 5-Carbomethoxychrysene
- Methyl 5-chrysenecarboxylate
- BRN 2138350
- 3-09-00-03622 (Beilstein Handbook Reference)
-
- Inchi： 1S/C20H14O2/c1-22-20(21)18-12-14-7-3-4-8-15(14)17-11-10-13-6-2-5-9-16(13)19(17)18/h2-12H,1H3
- InChI Key： BTMIXCXECURAKO-UHFFFAOYSA-N
- SMILES： O(C)C(C1C=C2C=CC=CC2=C2C=CC3C=CC=CC=3C2=1)=O
Computed Properties
- Exact Mass: 286.09942
- Monoisotopic Mass: 286.09938
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 22
- Rotatable Bond Count: 2
- Complexity: 418
- 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: 26.3
- XLogP3: 5.5
Experimental Properties
- Density: 1.246
- Boiling Point: 495.2°C at 760 mmHg
- Flash Point: 231.1°C
- Refractive Index: 1.728
- PSA: 26.3
5-Chrysenecarboxylicacid, methyl ester Related Literature
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Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
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Yu Long,Bing Yuan,Jianrui Niu,Xin Tong,Jiantai Ma New J. Chem., 2015,39, 1179-1185
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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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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Weixuan Zeng,Ouissam El Bakouri,Henrik Ottosson Chem. Sci., 2021,12, 6159-6171
71431-97-5 (5-Chrysenecarboxylicacid, methyl ester) Related Products
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- 120-61-6(Dimethyl terephthalate)
- 840-65-3(Dimethyl naphthalene-2,6-dicarboxylate)
- 99-36-5(Methyl 3-methylbenzoate)
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