Cas no 65646-25-5 ( )
structure
Product Name:
CAS No:65646-25-5
MF:C14H24O4
MW:256.337965011597
CID:962270
PubChem ID:348849
Update Time:2025-04-19
Chemical and Physical Properties
Names and Identifiers
-
- NSC408340; SureCN234736; AC1L8AA0; AGN-PC-002ROY; NSC-408340; 1,2-Cyclohexanedicarboxylic acid, dipropyl ester;
- dipropyl cyclohexane-1,2-dicarboxylate
- 65646-25-5
- NSC-408340
- SCHEMBL234736
- DS-010825
- AGEFUZCBLJQXIA-UHFFFAOYSA-N
- NSC 408340
- NSC408340
- DTXSID20325045
-
-
- Inchi： 1S/C14H24O4/c1-3-9-17-13(15)11-7-5-6-8-12(11)14(16)18-10-4-2/h11-12H,3-10H2,1-2H3
- InChI Key： AGEFUZCBLJQXIA-UHFFFAOYSA-N
- SMILES： O(CCC)C(C1CCCCC1C(=O)OCCC)=O
Computed Properties
- Exact Mass: 256.16752
- Monoisotopic Mass: 256.16745924g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 18
- Rotatable Bond Count: 8
- Complexity: 247
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3.3
- Topological Polar Surface Area: 52.6?2
Experimental Properties
- PSA: 52.6
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
-
Saeideh Mirfakhraei,Malak Hekmati,Fereshteh Hosseini Eshbala,Hojat Veisi New J. Chem., 2018,42, 1757-1761
-
Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
-
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
-
Guang Xu,Wei Zhang,Ying Zhang,Xiaoxia Zhao,Ping Wen,Di Ma RSC Adv., 2018,8, 19353-19361
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