Cas no 55898-39-0 (2-Ethoxycarbonyl-3-methylpentanoic acid)
55898-39-0 structure
Product Name:2-Ethoxycarbonyl-3-methylpentanoic acid
CAS No:55898-39-0
MF:C9H16O4
MW:188.220943450928
CID:2831922
PubChem ID:53414267
Update Time:2025-04-21
2-Ethoxycarbonyl-3-methylpentanoic acid Chemical and Physical Properties
Names and Identifiers
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- 55898-39-0
- 2-(ETHOXYCARBONYL)-3-METHYLPENTANOIC ACID
- SCHEMBL11105470
- DTXSID40696820
- 2-Ethoxycarbonyl-3-methylpentanoic acid
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- Inchi： 1S/C9H16O4/c1-4-6(3)7(8(10)11)9(12)13-5-2/h6-7H,4-5H2,1-3H3,(H,10,11)
- InChI Key： CAWHTXRMZAAAHJ-UHFFFAOYSA-N
- SMILES： O(CC)C(C(C(=O)O)C(C)CC)=O
Computed Properties
- Exact Mass: 188.10485899Da
- Monoisotopic Mass: 188.10485899Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 13
- Rotatable Bond Count: 6
- Complexity: 188
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.1
- Topological Polar Surface Area: 63.6?2
2-Ethoxycarbonyl-3-methylpentanoic acid Related Literature
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Yaqing Liu,Jiangtao Ren,Jing Li,Jiyang Liu,Erkang Wang Chem. Commun., 2012,48, 802-804
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Raktani Bikshapathi,Sai Prathima Parvathaneni,Vaidya Jayathirtha Rao Green Chem., 2017,19, 4446-4450
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Quan Xiang,Yiqin Chen,Zhiqin Li,Kaixi Bi,Guanhua Zhang,Huigao Duan Nanoscale, 2016,8, 19541-19550
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4. 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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Chongyang Zhu,Xiaojia Bian,Xin Jia,Ning Tang,Yongqiang Cheng Food Funct., 2020,11, 10635-10644
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