2-Propenoic acid, 3-methoxy-, methyl ester


Chemical Name: 2-Propenoic acid, 3-methoxy-, methyl ester
CAS Number: 34846-90-7
Product Number: AG003570(AGN-PC-0KK0DF)
Synonyms:
MDL No:
Molecular Formula: C5H8O3
Molecular Weight: 116.1152

Identification/Properties


Properties
MP:
3-4°C
BP:
155.3°C at 760 mmHg
Storage:
Keep in dry area;Room Temperature;
Form:
Liquid
Refractive Index:
n20/D 1.451(lit.)
Computed Properties
Molecular Weight:
116.116g/mol
XLogP3:
0.3
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
3
Exact Mass:
116.047g/mol
Monoisotopic Mass:
116.047g/mol
Topological Polar Surface Area:
35.5A^2
Heavy Atom Count:
8
Formal Charge:
0
Complexity:
95.8
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
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:
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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