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


Chemical Name: 3-Butenoic acid, 2-hydroxy-, methyl ester
CAS Number: 5837-73-0
Product Number: AG003PSS(AGN-PC-0JSNKK)
Synonyms:
MDL No:
Molecular Formula: C5H8O3
Molecular Weight: 116.1152

Identification/Properties


Properties
BP:
168.1°C at 760 mmHg
Storage:
Keep in dry area;2-8℃;
Refractive Index:
1.4370-1.4420
Computed Properties
Molecular Weight:
116.116g/mol
XLogP3:
0.3
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
3
Exact Mass:
116.047g/mol
Monoisotopic Mass:
116.047g/mol
Topological Polar Surface Area:
46.5A^2
Heavy Atom Count:
8
Formal Charge:
0
Complexity:
97.8
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

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
N/A
Hazard Statements:
H302-H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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