Cas no 88241-56-9 (Butanoic acid, 2-(acetyloxy)-, ethyl ester, (S)-)
88241-56-9 structure
Product Name:Butanoic acid, 2-(acetyloxy)-, ethyl ester, (S)-
CAS No:88241-56-9
MF:C8H14O4
MW:174.194363117218
CID:640010
PubChem ID:71409741
Update Time:2025-04-19
Butanoic acid, 2-(acetyloxy)-, ethyl ester, (S)- Chemical and Physical Properties
Names and Identifiers
-
- Butanoic acid, 2-(acetyloxy)-, ethyl ester, (S)-
- ethyl (2S)-2-acetyloxybutanoate
- DTXSID70829462
- Ethyl (2S)-2-(acetyloxy)butanoate
- 88241-56-9
-
- Inchi： 1S/C8H14O4/c1-4-7(12-6(3)9)8(10)11-5-2/h7H,4-5H2,1-3H3/t7-/m0/s1
- InChI Key： QMAYRYVZUNWYDW-ZETCQYMHSA-N
- SMILES： O(C(C)=O)[C@H](C(=O)OCC)CC
Computed Properties
- Exact Mass: 174.08900
- Monoisotopic Mass: 174.08920892g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 12
- Rotatable Bond Count: 6
- Complexity: 164
- 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: 1.3
- Topological Polar Surface Area: 52.6?2
Experimental Properties
- PSA: 52.60000
- LogP: 0.89120
Butanoic acid, 2-(acetyloxy)-, ethyl ester, (S)- Related Literature
-
Qiao Song,Angela Bamesberger,Lingyun Yang,Haley Houtwed,Haishi Cao Analyst, 2014,139, 3588-3592
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Helga Garcia,Rui Ferreira,Marija Petkovic,Jamie L. Ferguson,Maria C. Leit?o,H. Q. Nimal Gunaratne,Luís Paulo N. Rebelo Green Chem., 2010,12, 367-369
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Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
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Matthew J. Gaunt,Jinquan Yu,Jonathan B. Spencer Chem. Commun., 2001, 1844-1845
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M. Zeiger,N. J?ckel,P. Strubel,L. Borchardt,R. Reinhold,W. Nickel,J. Eckert,V. Presser,S. Kaskel J. Mater. Chem. A, 2015,3, 17983-17990
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