Cas no 651327-71-8 (Butanedioic acid, hydroxy-, 4-butyl ester)
651327-71-8 structure
Product Name:Butanedioic acid, hydroxy-, 4-butyl ester
CAS No:651327-71-8
MF:C8H13O5
MW:189.185823202133
CID:405637
PubChem ID:21932778
Update Time:2025-04-19
Butanedioic acid, hydroxy-, 4-butyl ester Chemical and Physical Properties
Names and Identifiers
-
- Butanedioic acid, hydroxy-, 4-butyl ester
- 4-butoxy-3-hydroxy-4-oxobutanoate
- 651327-71-8
- DTXSID20620289
-
- Inchi： 1S/C8H14O5/c1-2-3-4-13-8(12)6(9)5-7(10)11/h6,9H,2-5H2,1H3,(H,10,11)/p-1
- InChI Key： LIEWIHQESDHHTI-UHFFFAOYSA-M
- SMILES： O(C(C(CC(=O)[O-])O)=O)CCCC
Computed Properties
- Exact Mass: 189.07629
- Monoisotopic Mass: 189.07629851g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 13
- Rotatable Bond Count: 6
- Complexity: 172
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 0.9
- Topological Polar Surface Area: 86.7?2
Experimental Properties
- PSA: 86.66
Butanedioic acid, hydroxy-, 4-butyl ester Related Literature
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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
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J. Xu,T. J. Carrocci,A. A. Hoskins Chem. Commun., 2016,52, 549-552
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Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
651327-71-8 (Butanedioic acid, hydroxy-, 4-butyl ester) Related Products
- 90-80-2(D-(+)-Glucono-1,5-lactone)
- 617-55-0(Dimethyl (S)-(-)-Malate)
- 87-92-3((2R,3R)-Dibutyl 2,3-dihydroxysuccinate)
- 7554-12-3(Diethyl DL-Malate)
- 1128-23-0(L-Gulono-1,4-lactone)
- 13171-64-7(Dimethyl (2R,3R)-2,3-Dihydroxybutanedioate)
- 2217-15-4((+)-Diisopropyl L-Tartrate)
- 7554-28-1(Diethyl D-Malate)
- 691-84-9(Diethyl L-(-)-Malate)
- 608-68-4((+)-Dimethyl L-Tartrate)
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