Cas no 94021-97-3 (Butanoic acid,3-methyl-, 2-methyl-4-oxo-4H-pyran-3-yl ester)
94021-97-3 structure
Product Name:Butanoic acid,3-methyl-, 2-methyl-4-oxo-4H-pyran-3-yl ester
CAS No:94021-97-3
MF:C11H14O4
MW:210.226463794708
CID:809316
PubChem ID:16205937
Update Time:2025-04-19
Butanoic acid,3-methyl-, 2-methyl-4-oxo-4H-pyran-3-yl ester Chemical and Physical Properties
Names and Identifiers
-
- Butanoic acid,3-methyl-, 2-methyl-4-oxo-4H-pyran-3-yl ester
- (2-methyl-4-oxopyran-3-yl) 3-methylbutanoate
- 2-methyl-4-oxo-4H-pyran-3-yl isovalerate
- UNII-2Y4CE24UYS
- 2-methyl-4-oxo-4H-pyran-3-yl 3-methylbutanoate
- 2Y4CE24UYS
- EINECS 301-489-6
- Butanoic acid, 3-methyl-, 2-methyl-4-oxo-4H-pyran-3-yl ester
- NS00039902
- 94021-97-3
- DTXSID10240253
-
- Inchi： 1S/C11H14O4/c1-7(2)6-10(13)15-11-8(3)14-5-4-9(11)12/h4-5,7H,6H2,1-3H3
- InChI Key： RUJFQPWLSZMPNC-UHFFFAOYSA-N
- SMILES： O(C1C(C=COC=1C)=O)C(CC(C)C)=O
Computed Properties
- Exact Mass: 210.089209
- Monoisotopic Mass: 210.089209
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 15
- Rotatable Bond Count: 4
- Complexity: 337
- 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
- Topological Polar Surface Area: 52.6
- XLogP3: 1.7
Experimental Properties
- Density: 1.12
- Boiling Point: 333.3°Cat760mmHg
- Flash Point: 147.1°C
- Refractive Index: 1.493
Butanoic acid,3-methyl-, 2-methyl-4-oxo-4H-pyran-3-yl ester Related Literature
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Kaiyuan Huang,Wangkang Qiu,Meilian Ou,Xiaorui Liu,Zenan Liao,Sheng Chu RSC Adv., 2020,10, 18824-18829
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Philipp Traber,Stephan Kupfer,Stefanie Gr?fe,Isabelle Baussanne,Martine Demeunynck,Jean-Marie Mouesca,Serge Gambarelli,Vincent Artero,Murielle Chavarot-Kerlidou Chem. Sci., 2018,9, 4152-4159
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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Rongyan Guo,Tao Li,Shuie Shi J. Mater. Chem. C, 2019,7, 5148-5154
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5. 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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