Cas no 6278-88-2 ( )
structure
Product Name:
CAS No:6278-88-2
MF:C12H13NO3
MW:219.236523389816
CID:957891
PubChem ID:234507
Update Time:2025-04-19
Chemical and Physical Properties
Names and Identifiers
-
- 2,6,7-trimethoxyquinoline
- 2,6,7-Trimethoxychinolin
- 2,6,7-trimethoxy-quinoline
- 6278-88-2
- DTXSID20283959
- NSC-34495
- DS-003716
- NSC 34495
- NSC34495
-
-
- Inchi： 1S/C12H13NO3/c1-14-10-6-8-4-5-12(16-3)13-9(8)7-11(10)15-2/h4-7H,1-3H3
- InChI Key： IAKFKBZPVBPJAK-UHFFFAOYSA-N
- SMILES： O(C)C1C(=CC2C(=CC=C(N=2)OC)C=1)OC
Computed Properties
- Exact Mass: 219.09000
- Monoisotopic Mass: 219.09
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 16
- Rotatable Bond Count: 3
- Complexity: 224
- 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: 2.4
- Topological Polar Surface Area: 40.6?2
Experimental Properties
- Density: 1.161
- Boiling Point: 325.2°C at 760 mmHg
- Flash Point: 119.1°C
- Refractive Index: 1.573
- PSA: 40.58000
- LogP: 2.26060
Related Literature
-
Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
-
Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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3. 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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Aloke Das,K. K. Mahato,Chayan K. Nandi,Tapas Chakraborty,Shridhar R. Gadre,Nikhil A. Gokhale Phys. Chem. Chem. Phys., 2002,4, 2162-2168
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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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