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


Chemical Name: 2-Butenedioic acid (2Z)-, dimethyl ester
CAS Number: 624-48-6
Product Number: AG003PM5(AGN-PC-0T4F02)
Synonyms:
MDL No:
Molecular Formula: C6H8O4
Molecular Weight: 144.1253

Identification/Properties


Properties
MP:
-19°C
BP:
193°C at 760 mmHg
Storage:
Keep in dry area;Room Temperature;
Form:
Liquid
Refractive Index:
n20/D 1.441(lit.)
Solubility:
water: soluble77.9g/L at 20°C
Computed Properties
Molecular Weight:
144.126g/mol
XLogP3:
0.7
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
4
Exact Mass:
144.042g/mol
Monoisotopic Mass:
144.042g/mol
Topological Polar Surface Area:
52.6A^2
Heavy Atom Count:
10
Formal Charge:
0
Complexity:
141
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:
Danger
UN#:
2810
Hazard Statements:
H302-H317-H319-H335-H373
Precautionary Statements:
P280-P301+P312+P330-P304+P340+P312-P305+P351+P338-P333+P313-P337+P313
Class:
6.1
Packing Group:

NMR Spectrum


Other Analytical Data


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