Cas no 61541-20-6 (Butanoic acid, 4-hydroxy-2-methylene-, methyl ester)
61541-20-6 structure
Product Name:Butanoic acid, 4-hydroxy-2-methylene-, methyl ester
CAS No:61541-20-6
MF:C6H10O3
MW:130.141802310944
CID:475677
PubChem ID:9877370
Update Time:2025-04-19
Butanoic acid, 4-hydroxy-2-methylene-, methyl ester Chemical and Physical Properties
Names and Identifiers
-
- Butanoic acid, 4-hydroxy-2-methylene-, methyl ester
- methyl 4-hydroxy-2-methylidenebutanoate
- 61541-20-6
- DTXSID70432152
- SCHEMBL356136
- methyl 4-hydroxy-2-methylenebutanoate
-
- Inchi： 1S/C6H10O3/c1-5(3-4-7)6(8)9-2/h7H,1,3-4H2,2H3
- InChI Key： NHRMHEKXRUSPAE-UHFFFAOYSA-N
- SMILES： OCCC(=C)C(=O)OC
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: 4
- Complexity: 118
- 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: 0.3
- Topological Polar Surface Area: 46.5?2
Experimental Properties
- PSA: 46.53
Butanoic acid, 4-hydroxy-2-methylene-, methyl ester Related Literature
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Min Kim,Jae-Joon Lee,Tengling Ye,Panagiotis E. Keivanidis,Kilwon Cho J. Mater. Chem. C, 2020,8, 1686-1696
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Brindha J.,Balamurali M. M.,Kaushik Chanda RSC Adv., 2019,9, 34720-34734
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Eléonore Resongles,Corinne Casiot,Fran?oise Elbaz-Poulichet,Rémi Freydier,Odile Bruneel,Christine Piot,Sophie Delpoux,Aurélie Volant,Angélique Desoeuvre Environ. Sci.: Processes Impacts, 2013,15, 1536-1544
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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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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
61541-20-6 (Butanoic acid, 4-hydroxy-2-methylene-, methyl ester) Related Products
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