2-Butenedioic acid (2Z)-, bis(1,1-dimethylethyl) ester


Chemical Name: 2-Butenedioic acid (2Z)-, bis(1,1-dimethylethyl) ester
CAS Number: 18305-60-7
Product Number: AG0024DT(AGN-PC-0QCC9D)
Synonyms:
MDL No: MFCD23381095
Molecular Formula: C12H20O4
Molecular Weight: 228.2848

Identification/Properties


Properties
MP:
68 - 69°C
BP:
273.2±13.0°C at 760 mmHg
Storage:
Keep in dry area;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
228.288g/mol
XLogP3:
2.2
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
6
Exact Mass:
228.136g/mol
Monoisotopic Mass:
228.136g/mol
Topological Polar Surface Area:
52.6A^2
Heavy Atom Count:
16
Formal Charge:
0
Complexity:
259
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#:
-
Hazard Statements:
H302-H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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