Cas no 375825-12-0 (2-Furancarboxylic acid, tetrahydro-, butyl ester, (2R)-)
375825-12-0 structure
Product Name:2-Furancarboxylic acid, tetrahydro-, butyl ester, (2R)-
CAS No:375825-12-0
MF:C9H16O3
MW:172.221543312073
CID:1484386
PubChem ID:9964217
Update Time:2025-04-21
2-Furancarboxylic acid, tetrahydro-, butyl ester, (2R)- Chemical and Physical Properties
Names and Identifiers
-
- 2-Furancarboxylic acid, tetrahydro-, butyl ester, (2R)-
- butyl (2R)-oxolane-2-carboxylate
- SCHEMBL17361195
- 375825-12-0
- DTXSID80433372
-
- Inchi： 1S/C9H16O3/c1-2-3-6-12-9(10)8-5-4-7-11-8/h8H,2-7H2,1H3/t8-/m1/s1
- InChI Key： HISPCZJMPXQANI-MRVPVSSYSA-N
- SMILES： O1CCC[C@@H]1C(=O)OCCCC
Computed Properties
- Exact Mass: 172.10998
- Monoisotopic Mass: 172.109944368g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 12
- Rotatable Bond Count: 5
- Complexity: 145
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 1
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.8
- Topological Polar Surface Area: 35.5?2
Experimental Properties
- PSA: 35.53
2-Furancarboxylic acid, tetrahydro-, butyl ester, (2R)- Related Literature
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Hongxia Li,Aikifa Raza,Qiaoyu Ge,Jin-You Lu,TieJun Zhang Soft Matter, 2020,16, 6841-6849
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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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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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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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5. Excimer emission and magnetoluminescence of radical-based zinc(ii) complexes doped in host crystals?Shojiro Kimura,Tetsuro Kusamoto Chem. Commun., 2020,56, 11195-11198
375825-12-0 (2-Furancarboxylic acid, tetrahydro-, butyl ester, (2R)-) Related Products
- 7492-70-8(Butanoic acid, 2-butoxy-1-methyl-2-oxoethyl ester)
- 87392-07-2((2S)-oxolane-2-carboxylic acid)
- 16874-33-2(oxolane-2-carboxylic acid)
- 22430-23-5(L-Mannono-1,4-lactone)
- 1128-23-0(L-Gulono-1,4-lactone)
- 2782-07-2(D-Galactono-1,4-lactone)
- 87392-05-0((2R)-oxolane-2-carboxylic acid)
- 16874-34-3(Ethyl Tetrahydro-2-fuorate)
- 32499-92-6(D-Galacturonolactone)
- 37443-42-8(Methyl tetrahydrofuran-2-carboxylate)
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