CAS 101080-53-9 | 2-Butenoic acid, 4-hydroxy-2-methyl-, methyl ester | CAS Number 101080-53-9

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101080-53-9 | 2-Butenoic acid, 4-hydroxy-2-methyl-, methyl ester

CAS No: 101080-53-9 Catalog No: AG0003OL MDL No:

Product Description

Catalog Number:

AG0003OL

Chemical Name:

2-Butenoic acid, 4-hydroxy-2-methyl-, methyl ester

CAS Number:

101080-53-9

Molecular Formula:

C6H10O3

Molecular Weight:

130.1418

IUPAC Name:

methyl 4-hydroxy-2-methylbut-2-enoate

InChI:

InChI=1S/C6H10O3/c1-5(3-4-7)6(8)9-2/h3,7H,4H2,1-2H3

InChI Key:

FKRANOXLYCXMOV-UHFFFAOYSA-N

SMILES:

CC(=CCO)C(=O)OC

Properties

Complexity:

126

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

130.063g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

130.143g/mol

Monoisotopic Mass:

130.063g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

46.5A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.1

Literature

Title	Journal
Synthesis of spiroannulated and 3-arylated 1,2,4-trioxanes from mesitylol and methyl 4-hydroxytiglate by photooxygenation and peroxyacetalization.	Beilstein journal of organic chemistry 20100101
1,2,5,10,11,14-hexaoxadispiro[5.2.5.2]hexadecanes: novel spirofused bis-trioxane peroxides.	Molecules (Basel, Switzerland) 20080819