Propanedioic acid, 1,1-dimethylethyl ethyl ester


Chemical Name: Propanedioic acid, 1,1-dimethylethyl ethyl ester
CAS Number: 32864-38-3
Product Number: AG003UKN(AGN-PC-0JM1U5)
Synonyms:
MDL No: MFCD00009193
Molecular Formula: C9H16O4
Molecular Weight: 188.2209

Identification/Properties


Properties
BP:
210.7°C at 760 mmHg
Storage:
Inert atmosphere;Room Temperature;
Form:
Liquid
Refractive Index:
n20/D 1.416(lit.)
Computed Properties
Molecular Weight:
188.223g/mol
XLogP3:
1.5
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
6
Exact Mass:
188.105g/mol
Monoisotopic Mass:
188.105g/mol
Topological Polar Surface Area:
52.6A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
190
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#:
-
Hazard Statements:
H302-H315-H319-H332-H335
Precautionary Statements:
P261-P280-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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