Dicarbonic acid, bis(1,1-dimethylpropyl) ester


Chemical Name: Dicarbonic acid, bis(1,1-dimethylpropyl) ester
CAS Number: 68835-89-2
Product Number: AG003PRM(AGN-PC-0LDPQF)
Synonyms:
MDL No:
Molecular Formula: C12H22O5
Molecular Weight: 246.3001

Identification/Properties


Properties
BP:
70 °C0.05 mm Hg(lit.)
Storage:
2-8℃;
Form:
Liquid
Refractive Index:
n20/D 1.422(lit.)
Computed Properties
Molecular Weight:
246.303g/mol
XLogP3:
3.7
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
8
Exact Mass:
246.147g/mol
Monoisotopic Mass:
246.147g/mol
Topological Polar Surface Area:
61.8A^2
Heavy Atom Count:
17
Formal Charge:
0
Complexity:
253
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:
H302
Precautionary Statements:
P280-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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