Cas no 64374-55-6 (1,1,2-Cyclobutanetricarboxylic acid, 4-chloro-, trimethyl ester, trans-)
64374-55-6 structure
Product Name:1,1,2-Cyclobutanetricarboxylic acid, 4-chloro-, trimethyl ester, trans-
CAS No:64374-55-6
MF:C10H13ClO6
MW:264.659622907639
CID:389817
PubChem ID:71371869
Update Time:2025-04-19
1,1,2-Cyclobutanetricarboxylic acid, 4-chloro-, trimethyl ester, trans- Chemical and Physical Properties
Names and Identifiers
-
- 1,1,2-Cyclobutanetricarboxylic acid, 4-chloro-, trimethyl ester, trans-
- DTXSID80794778
- Trimethyl (2S,4S)-4-chlorocyclobutane-1,1,2-tricarboxylate
- 64374-55-6
-
- Inchi： 1S/C10H13ClO6/c1-15-7(12)5-4-6(11)10(5,8(13)16-2)9(14)17-3/h5-6H,4H2,1-3H3/t5-,6+/m1/s1
- InChI Key： UMRVUCXZEZTPBF-RITPCOANSA-N
- SMILES： Cl[C@H]1C[C@H](C(=O)OC)C1(C(=O)OC)C(=O)OC
Computed Properties
- Exact Mass: 264.0400658g/mol
- Monoisotopic Mass: 264.0400658g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 17
- Rotatable Bond Count: 6
- Complexity: 337
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 2
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 0.6
- Topological Polar Surface Area: 78.9?2
1,1,2-Cyclobutanetricarboxylic acid, 4-chloro-, trimethyl ester, trans- Related Literature
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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2. Estimation of hydrogen sulfide from crude petroleum: a unique invention using a simple chemosensor?Shampa Kundu,Prithidipa Sahoo New J. Chem., 2019,43, 12369-12374
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Xingqun Zheng,Lele Song,Xin Feng,Li Li,Zidong Wei J. Mater. Chem. A, 2020,8, 14145-14151
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Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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