Cas no 22697-31-0 (2H-Pyran-5-carboxylic acid, 3,4-dihydro-6-methyl-4-oxo-, ethyl ester)
22697-31-0 structure
Product Name:2H-Pyran-5-carboxylic acid, 3,4-dihydro-6-methyl-4-oxo-, ethyl ester
CAS No:22697-31-0
MF:C9H12O4
MW:184.189183235168
CID:1411258
Update Time:2024-08-15
2H-Pyran-5-carboxylic acid, 3,4-dihydro-6-methyl-4-oxo-, ethyl ester Chemical and Physical Properties
Names and Identifiers
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- 2H-Pyran-5-carboxylic acid, 3,4-dihydro-6-methyl-4-oxo-, ethyl ester
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- Inchi： 1S/C9H12O4/c1-3-12-9(11)8-6(2)13-5-4-7(8)10/h3-5H2,1-2H3
- InChI Key： HBSDKXIXUMVAJY-UHFFFAOYSA-N
- SMILES： C1OC(C)=C(C(OCC)=O)C(=O)C1
Computed Properties
- Exact Mass: 184.07356
Experimental Properties
- Density: 1.170±0.06 g/cm3(Predicted)
- Boiling Point: 262.2±29.0 °C(Predicted)
- PSA: 52.6
2H-Pyran-5-carboxylic acid, 3,4-dihydro-6-methyl-4-oxo-, ethyl ester Related Literature
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Mengke Li,Xinyi Cai,Zhenyang Qiao,Wentao Xie,Liangying Wang,Nan Zheng,Shi-Jian Su Chem. Commun., 2019,55, 7215-7218
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Adeline Huiling Loo,Alessandra Bonanni,Martin Pumera Analyst, 2013,138, 467-471
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Jingquan Liu,Huiyun Liu,Zhongfan Jia,Volga Bulmus,Thomas P. Davis Chem. Commun., 2008, 6582-6584
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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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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