Cas no 116310-04-4 (Butanoic acid, 3-hydroxy-, propyl ester)
116310-04-4 structure
Product Name:Butanoic acid, 3-hydroxy-, propyl ester
CAS No:116310-04-4
MF:C7H14O3
MW:146.184262752533
CID:1205678
PubChem ID:529007
Update Time:2025-04-20
Butanoic acid, 3-hydroxy-, propyl ester Chemical and Physical Properties
Names and Identifiers
-
- Butanoic acid, 3-hydroxy-, propyl ester
- propyl 3-hydroxybutanoate
- DTXSID60336079
- DYIMQAHDHMHISM-UHFFFAOYSA-N
- Propyl butanoate, 3-hydroxy
- Propyl 3-hydroxybutyrate
- SCHEMBL1455380
- 116310-04-4
- DB-432392
-
- Inchi： 1S/C7H14O3/c1-3-4-10-7(9)5-6(2)8/h6,8H,3-5H2,1-2H3
- InChI Key： DYIMQAHDHMHISM-UHFFFAOYSA-N
- SMILES： O(C(CC(C)O)=O)CCC
Computed Properties
- Exact Mass: 146.094294304g/mol
- Monoisotopic Mass: 146.094294304g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 10
- Rotatable Bond Count: 5
- Complexity: 101
- 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: 0.7
- Topological Polar Surface Area: 46.5?2
Butanoic acid, 3-hydroxy-, propyl 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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Aloke Das,K. K. Mahato,Chayan K. Nandi,Tapas Chakraborty,Shridhar R. Gadre,Nikhil A. Gokhale Phys. Chem. Chem. Phys., 2002,4, 2162-2168
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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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Denis V. Korchagin,Elena A. Yureva,Alexander V. Akimov,Eugenii Ya. Misochko,Gennady V. Shilov,Artem D. Talantsev,Roman B. Morgunov,Alexander A. Shakin,Sergey M. Aldoshin,Boris S. Tsukerblat Dalton Trans., 2017,46, 7540-7548
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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
116310-04-4 (Butanoic acid, 3-hydroxy-, propyl ester) Related Products
- 32328-03-3(Diethyl 3-hydroxyglutarate)
- 3976-69-0(Methyl (R)-(-)-3-hydroxybutyrate)
- 29435-48-1(Butanoic acid,3-hydroxy-, (3R)-, homopolymer)
- 112083-63-3(ethyl 2-(2S)-oxiran-2-ylacetate)
- 53562-86-0(Methyl (S)-(+)-3-hydroxybutyrate)
- 2305-25-1(Ethyl 3-hydroxyhexanoate)
- 1487-49-6(Methyl 3-Hydroxybutyrate)
- 56816-01-4(Ethyl (S)-3-hydroxybutyrate)
- 5405-41-4(Ethyl 3-hydroxybutyrate)
- 21188-61-4(Ethyl 3-acetoxyhexanoate)
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