Cas no 57582-49-7 (3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-, dicyclohexylester)
57582-49-7 structure
Product Name:3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-, dicyclohexylester
CAS No:57582-49-7
MF:C21H31NO4
MW:361.475146532059
CID:344887
Update Time:2022-09-22
3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-, dicyclohexylester Chemical and Physical Properties
Names and Identifiers
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- 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-, dicyclohexylester
- 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-, 3,5-dicyclohexyl ester
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- Inchi： 1S/C21H31NO4/c1-14-18(20(23)25-16-9-5-3-6-10-16)13-19(15(2)22-14)21(24)26-17-11-7-4-8-12-17/h16-17,22H,3-13H2,1-2H3
- InChI Key： LRVHBLBZOXWAJN-UHFFFAOYSA-N
- SMILES： C1(C)NC(C)=C(C(OC2CCCCC2)=O)CC=1C(OC1CCCCC1)=O
Computed Properties
- Exact Mass: 361.225
- Monoisotopic Mass: 361.225
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 26
- Rotatable Bond Count: 6
- Complexity: 556
- 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
3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-, dicyclohexylester Related Literature
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Ravi Kumar Yadav,R. Govindaraj Phys. Chem. Chem. Phys., 2020,22, 26876-26886
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Hyejin Moon,Aaron R. Wheeler,Robin L. Garrell,Chang-Jin “CJ” Kim Lab Chip, 2006,6, 1213-1219
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3. An autonomous self-optimizing flow machine for the synthesis of pyridine–oxazoline (PyOX) ligands?Eric Wimmer,Daniel Cortés-Borda,Solène Brochard,Elvina Barré,Charlotte Truchet,Fran?ois-Xavier Felpin React. Chem. Eng., 2019,4, 1608-1615
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Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
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