Cas no 62527-80-4 (Propanedioic acid, propoxy-, dipropyl ester)
62527-80-4 structure
Product Name:Propanedioic acid, propoxy-, dipropyl ester
CAS No:62527-80-4
MF:C12H22O5
MW:246.300084590912
CID:441526
PubChem ID:14288975
Update Time:2025-04-19
Propanedioic acid, propoxy-, dipropyl ester Chemical and Physical Properties
Names and Identifiers
-
- Propanedioic acid, propoxy-, dipropyl ester
- dipropyl 2-propoxypropanedioate
- 62527-80-4
- DTXSID30558483
- Dipropyl propoxypropanedioate
-
- Inchi: 1S/C12H22O5/c1-4-7-15-10(11(13)16-8-5-2)12(14)17-9-6-3/h10H,4-9H2,1-3H3
- InChI Key: FUDDURALUOFQNI-UHFFFAOYSA-N
- SMILES: O(CCC)C(C(=O)OCCC)C(=O)OCCC
Computed Properties
- Exact Mass: 246.14676
- Monoisotopic Mass: 246.14672380g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 17
- Rotatable Bond Count: 11
- Complexity: 207
- 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
- XLogP3: 2.8
- Topological Polar Surface Area: 61.8?2
Experimental Properties
- PSA: 61.83
Propanedioic acid, propoxy-, dipropyl ester Related Literature
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Amandine Altmayer-Henzien,Valérie Declerck,David J. Aitken,Ewen Lescop,Denis Merlet,Jonathan Farjon Org. Biomol. Chem., 2013,11, 7611-7615
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2. Excimer emission and magnetoluminescence of radical-based zinc(ii) complexes doped in host crystals?Shojiro Kimura,Tetsuro Kusamoto Chem. Commun., 2020,56, 11195-11198
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Yong Ping Huang,Tao Tao,Zheng Chen,Wei Han,Ying Wu,Chunjiang Kuang,Shaoxiong Zhou,Ying Chen J. Mater. Chem. A, 2014,2, 18831-18837
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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
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