Cas no 54843-09-3 (2-Propenoic acid, 2-propoxy-1-(propoxymethyl)ethyl ester)
54843-09-3 structure
Product Name:2-Propenoic acid, 2-propoxy-1-(propoxymethyl)ethyl ester
CAS No:54843-09-3
MF:C12H22O4
MW:230.300684452057
CID:353550
PubChem ID:71364466
Update Time:2025-04-19
2-Propenoic acid, 2-propoxy-1-(propoxymethyl)ethyl ester Chemical and Physical Properties
Names and Identifiers
-
- 2-Propenoic acid, 2-propoxy-1-(propoxymethyl)ethyl ester
- 1,3-dipropoxypropan-2-yl prop-2-enoate
- 54843-09-3
- DTXSID10787931
-
- Inchi： 1S/C12H22O4/c1-4-7-14-9-11(10-15-8-5-2)16-12(13)6-3/h6,11H,3-5,7-10H2,1-2H3
- InChI Key： UIQSNJBQTYCNBU-UHFFFAOYSA-N
- SMILES： O(CCC)CC(COCCC)OC(C=C)=O
Computed Properties
- Exact Mass: 230.15186
- Monoisotopic Mass: 230.15180918g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 16
- Rotatable Bond Count: 11
- Complexity: 182
- 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: 2.3
- Topological Polar Surface Area: 44.8?2
Experimental Properties
- PSA: 44.76
2-Propenoic acid, 2-propoxy-1-(propoxymethyl)ethyl ester Related Literature
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Yu-Nong Li,Liang-Nian He,Xian-Dong Lang,Xiao-Fang Liu,Shuai Zhang RSC Adv., 2014,4, 49995-50002
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Chengbin Yang,Hing Lun Tsang,Pui Man Lau,Ken-Tye Yong,Ho Pui Ho,Siu Kai Kong Analyst, 2017,142, 3579-3587
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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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Xue-Ying Wang,Ying Pei,Min Xie,Zi-He Jin,Ya-Shi Xiao,Yang Wang,Li-Na Zhang,Yan Li,Wei-Hua Huang Lab Chip, 2015,15, 1178-1187
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Bidyut Kumar Kundu,Rinky Singh,Ritudhwaj Tiwari,Debasis Nayak New J. Chem., 2019,43, 4867-4877
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