2-Hydroxy-3-butenoic acid
Product Information
Molecular Formula
C4H6O3
Molecular Weight
102.08
Description
Applications: 2-hydroxybut-3-enoic acid is a useful research chemical.
Synonyms
2-hydroxybut-3-enoic acid; Vinylglycolic acid; 2-Hydroxy-3-butenoic acid; 3-Butenoic acid, 2-hydroxy-; 2-Hydroxy-3-butenoicacid; Vinylglykolsaure; 2-hydroxybut-3-enoicacid
IUPAC Name
2-hydroxybut-3-enoic acid
SMILES
C=CC(C(=O)O)O
InChI
InChI=1S/C4H6O3/c1-2-3(5)4(6)7/h2-3,5H,1H2,(H,6,7)
InChI Key
VBWPSWWDYVWZKA-UHFFFAOYSA-N
Boiling Point
131.37°C (rough estimate)
Melting Point
43°C
Density
1.2020
Refractive Index
1.4046 (estimate)
Computed Properties
XLogP3
0
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
2
Exact Mass
102.031694049 g/mol
Monoisotopic Mass
102.031694049 g/mol
Topological Polar Surface Area
57.5Ų
Heavy Atom Count
7
Formal Charge
0
Complexity
86.9
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
1
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
1
Compound Is Canonicalized
Yes
Patents
| Publication Number | Title | Priority Date |
|---|---|---|
| CN-113524937-A | zero-VOC offset alcohol-free fountain solution | 2021-08-03 |
| CN-113519695-A | Composite microbial inoculum for fermenting straw feed, fermented feed and preparation method | 2021-07-14 |
| WO-2022010403-A1 | A radiation curable composition comprising a biobased reactive diluent | 2020-07-08 |
| EP-3798205-A1 | Bio-based acrylate monomer | 2019-09-26 |
| WO-2021058292-A1 | Bio-based acrylate monomer | 2019-09-26 |
| TW-202120469-A | Bio-based acrylate monomer | 2019-09-26 |
| FR-3094715-A1 | PROCESS FOR PREPARING A SULFUR OR SELENIA COMPOUND BY THIOLENE REACTION | 2019-04-04 |
| WO-2020201412-A1 | Method for preparing a sulfur or selenised compound by thiolene reaction | 2019-04-04 |
| TW-202100509-A | Method for preparing a sulfur or selenium compound by thiol-ene reaction | 2019-04-04 |
| CN-113661159-A | Method for producing sulfur-containing compounds or selenium-containing compounds by reacting thiol alkenes | 2019-04-04 |
Literatures
| PMID | Publication Date | Title | Journal |
|---|---|---|---|
| 19287539 | 2008-01-01 | Characterisation of the substrate specificity of the nitrile hydrolyzing system of the acidotolerant black yeast Exophiala oligosperma R1 | Studies in mycology |
| 11456585 | 2001-01-31 | A QM/MM study of the racemization of vinylglycolate catalyzed by mandelate racemase enzyme | Journal of the American Chemical Society |
