Cas no 62498-06-0 (1,2-Cyclopropanedicarboxylic acid, 7-carboxyheptyl pentyl ester, trans-)
62498-06-0 structure
Product Name:1,2-Cyclopropanedicarboxylic acid, 7-carboxyheptyl pentyl ester, trans-
CAS No:62498-06-0
MF:C18H30O6
MW:342.427206516266
CID:442657
PubChem ID:71385841
Update Time:2025-04-19
1,2-Cyclopropanedicarboxylic acid, 7-carboxyheptyl pentyl ester, trans- Chemical and Physical Properties
Names and Identifiers
-
- 1,2-Cyclopropanedicarboxylic acid, 7-carboxyheptyl pentyl ester, trans-
- 8-[(1R,2R)-2-pentoxycarbonylcyclopropanecarbonyl]oxyoctanoic acid
- 8-({(1R,2R)-2-[(Pentyloxy)carbonyl]cyclopropane-1-carbonyl}oxy)octanoic acid
- DTXSID50808053
- 62498-06-0
-
- Inchi： 1S/C18H30O6/c1-2-3-8-11-23-17(21)14-13-15(14)18(22)24-12-9-6-4-5-7-10-16(19)20/h14-15H,2-13H2,1H3,(H,19,20)/t14-,15-/m1/s1
- InChI Key： IXGYPJMULVIZDQ-HUUCEWRRSA-N
- SMILES： O(CCCCCCCC(=O)O)C([C@@H]1C[C@H]1C(=O)OCCCCC)=O
Computed Properties
- Exact Mass: 342.2043
- Monoisotopic Mass: 342.20423867g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 24
- Rotatable Bond Count: 16
- Complexity: 406
- 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: 3.5
- Topological Polar Surface Area: 89.9?2
Experimental Properties
- PSA: 89.9
1,2-Cyclopropanedicarboxylic acid, 7-carboxyheptyl pentyl ester, trans- Related Literature
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Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
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Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
62498-06-0 (1,2-Cyclopropanedicarboxylic acid, 7-carboxyheptyl pentyl ester, trans-) Related Products
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- 14924-53-9(Ethyl cyclobutanecarboxylate)
- 1187-74-2(Acetonyl-succinic Acid Diethyl Ester)
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