Cas no 807627-55-0 (Butyric acid, -gamma--chloro--alpha-,-bta--diketo-, ethyl ester (3CI))
807627-55-0 structure
Product Name:Butyric acid, -gamma--chloro--alpha-,-bta--diketo-, ethyl ester (3CI)
CAS No:807627-55-0
MF:C6H7ClO4
MW:178.570381402969
CID:715006
Update Time:2023-11-18
Butyric acid, -gamma--chloro--alpha-,-bta--diketo-, ethyl ester (3CI) Chemical and Physical Properties
Names and Identifiers
-
- Butanoic acid,4-chloro-2,3-dioxo-, ethyl ester
- Butyric acid, -gamma--chloro--alpha-,-bta--diketo-, ethyl ester (3CI)
- 2,3-Dioxo-4-chlorobutanoic acid ethyl ester
- 4-chloro-2,3-dioxo-butyric acid ethyl ester
- CID 87370528
- Butyric acid, -gamma--chloro--alpha-,-bta--diketo-, ethyl ester (3CI)
- Butanoic acid, 4-chloro-2,3-dioxo-, ethyl ester
-
- Inchi： 1S/C6H7ClO4/c1-2-11-6(10)5(9)4(8)3-7/h2-3H2,1H3
- InChI Key： CTHODMCMGSIMLR-UHFFFAOYSA-N
- SMILES： ClCC(C(C(=O)OCC)=O)=O
Computed Properties
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 11
- Rotatable Bond Count: 5
- Complexity: 187
- Topological Polar Surface Area: 60.4
Experimental Properties
- Density: 1.306±0.06 g/cm3(Predicted)
- Boiling Point: 241.3±42.0 °C(Predicted)
Butyric acid, -gamma--chloro--alpha-,-bta--diketo-, ethyl ester (3CI) Related Literature
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Goonay Yousefalizadeh,Shideh Ahmadi,Nicholas J. Mosey,Kevin G. Stamplecoskie Nanoscale, 2021,13, 242-252
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Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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Joo Chuan Yeo,Kenry Lab Chip, 2016,16, 4082-4090
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Chung-Sung Yang,Mong-Shian Shih,Fang-Yi Chang New J. Chem., 2006,30, 729-735
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