2-Butynedioic acid, diethyl ester


Chemical Name: 2-Butynedioic acid, diethyl ester
CAS Number: 762-21-0
Product Number: AG0034Q2(AGN-PC-0JL99U)
Synonyms:
MDL No:
Molecular Formula: C8H10O4
Molecular Weight: 170.1626

Identification/Properties


Properties
MP:
1-3 °C
BP:
107-110°C at 760 mmHg
Storage:
Keep in dry area;Room Temperature;
Form:
Liquid
Refractive Index:
n20/D 1.443(lit.)
Computed Properties
Molecular Weight:
170.164g/mol
XLogP3:
1.5
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
4
Exact Mass:
170.058g/mol
Monoisotopic Mass:
170.058g/mol
Topological Polar Surface Area:
52.6A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
208
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:
Warning
UN#:
N/A
Hazard Statements:
H317-H319
Precautionary Statements:
P280-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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