2-Butynedioic acid, dimethyl ester


Chemical Name: 2-Butynedioic acid, dimethyl ester
CAS Number: 762-42-5
Product Number: AG0034R0(AGN-PC-0JKAWT)
Synonyms:
MDL No:
Molecular Formula: C6H6O4
Molecular Weight: 142.1094

Identification/Properties


Properties
MP:
-18 °C
BP:
204.3°C at 760 mmHg
Storage:
Keep in dry area;Room Temperature;
Form:
Solid
Stability:
Light Sensitive
Refractive Index:
n20/D 1.447(lit.)
Computed Properties
Molecular Weight:
142.11g/mol
XLogP3:
0.8
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
2
Exact Mass:
142.027g/mol
Monoisotopic Mass:
142.027g/mol
Topological Polar Surface Area:
52.6A^2
Heavy Atom Count:
10
Formal Charge:
0
Complexity:
184
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
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:
Danger
UN#:
1760
Hazard Statements:
H302+H312+H332-H314
Precautionary Statements:
P261-P280-P303+P361+P353-P301+P330+P331-P304+P340+P310-P305+P351+P338+P310
Class:
8
Packing Group:

NMR Spectrum


Other Analytical Data


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