Cas no 87898-93-9 (Pentanoic acid, 4,4-dimethyl-2,3-dioxo-, ethyl ester)
87898-93-9 structure
Product Name:Pentanoic acid, 4,4-dimethyl-2,3-dioxo-, ethyl ester
CAS No:87898-93-9
MF:C9H14O4
MW:186.205063343048
CID:650929
PubChem ID:13154494
Update Time:2025-04-19
Pentanoic acid, 4,4-dimethyl-2,3-dioxo-, ethyl ester Chemical and Physical Properties
Names and Identifiers
-
- Pentanoic acid, 4,4-dimethyl-2,3-dioxo-, ethyl ester
- ethyl 4,4-dimethyl-2,3-dioxopentanoate
- DTXSID70522704
- 87898-93-9
-
- Inchi： 1S/C9H14O4/c1-5-13-8(12)6(10)7(11)9(2,3)4/h5H2,1-4H3
- InChI Key： BCNGLKWSQNYMKN-UHFFFAOYSA-N
- SMILES： O=C(C(C(=O)OCC)=O)C(C)(C)C
Computed Properties
- Exact Mass: 186.08920892g/mol
- Monoisotopic Mass: 186.08920892g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 13
- Rotatable Bond Count: 5
- Complexity: 235
- 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: 1.6
- Topological Polar Surface Area: 60.4?2
Pentanoic acid, 4,4-dimethyl-2,3-dioxo-, ethyl ester Related Literature
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1. An integrated chip for immunofluorescence and its application to analyze lysosomal storage disordersJie Shen,Ying Zhou,Tu Lu,Junya Peng,Zhixiang Lin,Yuhong Pang,Li Yu Lab Chip, 2012,12, 317-324
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M. T. Colomer,S. Díaz-Moreno,A. Tamayo,A. L. Ortiz J. Mater. Chem. C, 2018,6, 12643-12651
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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Sandip Gangadhar Balwe,Yeon Tae Jeong Org. Biomol. Chem., 2018,16, 1287-1296
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Xixi Li,Nanwei Zhu,Ruohan Li,Qinpu Zhang Anal. Methods, 2020,12, 3376-3381
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