Cas no 54843-13-9 (2-Propenoic acid, 3-hydroxy-2-methyl-, ethyl ester)
54843-13-9 structure
Product Name:2-Propenoic acid, 3-hydroxy-2-methyl-, ethyl ester
CAS No:54843-13-9
MF:C6H10O3
MW:130.141802310944
CID:353548
PubChem ID:521546
Update Time:2025-04-19
2-Propenoic acid, 3-hydroxy-2-methyl-, ethyl ester Chemical and Physical Properties
Names and Identifiers
-
- 2-Propenoic acid, 3-hydroxy-2-methyl-, ethyl ester
- ethyl 3-hydroxy-2-methylprop-2-enoate
- DTXSID40334679
- ethyl 3-hydroxy-2-methyl-2-propenoate
- UPWSFLJBKRQKBD-UHFFFAOYSA-N
- 54843-13-9
-
- Inchi： 1S/C6H10O3/c1-3-9-6(8)5(2)4-7/h4,7H,3H2,1-2H3
- InChI Key： UPWSFLJBKRQKBD-UHFFFAOYSA-N
- SMILES： O(C(C(=CO)C)=O)CC
Computed Properties
- Exact Mass: 130.063
- Monoisotopic Mass: 130.062994177g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 9
- Rotatable Bond Count: 3
- Complexity: 126
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 1
- XLogP3: 1.3
- Topological Polar Surface Area: 46.5?2
Experimental Properties
- PSA: 46.53
2-Propenoic acid, 3-hydroxy-2-methyl-, ethyl ester Related Literature
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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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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
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Helga Garcia,Rui Ferreira,Marija Petkovic,Jamie L. Ferguson,Maria C. Leit?o,H. Q. Nimal Gunaratne,Luís Paulo N. Rebelo Green Chem., 2010,12, 367-369
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Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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