Cas no 702-90-9 ( )
structure
Product Name:
Chemical and Physical Properties
Names and Identifiers
-
- cyclopropane-1,1,2-tricarboxylic acid
- 1,1,2-Cyclopropantricarbonsaeure
- AC1L5ITY
- AC1Q5TAB
- CTK5D2188
- Cyclopropan-1,1,2-tricarbonsaeure
- F0797-0095
- HMS1578M22
- NSC24681
- SureCN2775001
- Z56794478
- SCHEMBL2775001
- MFCD00185864
- CCG-46182
- cyclopropane-1,2-tricarboxylic acid
- NSC-24681
- SR-01000635894-1
- Cambridge id 5140208
- 702-90-9
- AKOS001019460
- 1,1,2-Cyclopropantricarbonsaure
- AKOS016371134
- DTXSID90282136
-
-
- Inchi： 1S/C6H6O6/c7-3(8)2-1-6(2,4(9)10)5(11)12/h2H,1H2,(H,7,8)(H,9,10)(H,11,12)
- InChI Key： YKXAGRCDGMWYRO-UHFFFAOYSA-N
- SMILES： OC(C1(C(=O)O)CC1C(=O)O)=O
Computed Properties
- Exact Mass: 174.01638
- Monoisotopic Mass: 174.01643791g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 12
- Rotatable Bond Count: 3
- Complexity: 253
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: -1
- Topological Polar Surface Area: 112?2
Experimental Properties
- PSA: 111.9
- LogP: -0.75350
Related Literature
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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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Denis V. Korchagin,Elena A. Yureva,Alexander V. Akimov,Eugenii Ya. Misochko,Gennady V. Shilov,Artem D. Talantsev,Roman B. Morgunov,Alexander A. Shakin,Sergey M. Aldoshin,Boris S. Tsukerblat Dalton Trans., 2017,46, 7540-7548
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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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