2-Butenedioic acid (2Z)-, monoethyl ester


Chemical Name: 2-Butenedioic acid (2Z)-, monoethyl ester
CAS Number: 3990-03-2
Product Number: AG003S5K(AGN-PC-0RL78G)
Synonyms:
MDL No:
Molecular Formula: C6H8O4
Molecular Weight: 144.1253

Identification/Properties


Properties
Storage:
Keep in dry area;2-8℃;
Form:
Liquid
Refractive Index:
1.4570 to 1.4600
Computed Properties
Molecular Weight:
144.126g/mol
XLogP3:
0.2
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
4
Exact Mass:
144.042g/mol
Monoisotopic Mass:
144.042g/mol
Topological Polar Surface Area:
63.6A^2
Heavy Atom Count:
10
Formal Charge:
0
Complexity:
159
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-P264-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P321-P332+P313-P337+P313-P362-P403+P233-P405-P501
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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