Cas no 54843-05-9 (2-Propenoic acid, 2-methoxy-1-(methoxymethyl)ethyl ester)
54843-05-9 structure
Product Name:2-Propenoic acid, 2-methoxy-1-(methoxymethyl)ethyl ester
CAS No:54843-05-9
MF:C8H14O4
MW:174.194363117218
CID:353552
PubChem ID:59273303
Update Time:2025-04-19
2-Propenoic acid, 2-methoxy-1-(methoxymethyl)ethyl ester Chemical and Physical Properties
Names and Identifiers
-
- 2-Propenoic acid, 2-methoxy-1-(methoxymethyl)ethyl ester
- 1,3-dimethoxypropan-2-yl prop-2-enoate
- SCHEMBL13383386
- DTXSID80731421
- 54843-05-9
-
- Inchi： 1S/C8H14O4/c1-4-8(9)12-7(5-10-2)6-11-3/h4,7H,1,5-6H2,2-3H3
- InChI Key： WDEIYXBQLBYVBO-UHFFFAOYSA-N
- SMILES： O(C(C=C)=O)C(COC)COC
Computed Properties
- Exact Mass: 174.08922
- Monoisotopic Mass: 174.08920892g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 12
- Rotatable Bond Count: 7
- Complexity: 138
- 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: 0.5
- Topological Polar Surface Area: 44.8?2
Experimental Properties
- PSA: 44.76
2-Propenoic acid, 2-methoxy-1-(methoxymethyl)ethyl ester Related Literature
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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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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
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Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
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