Propanedioic acid, bis(1-methylethyl) ester


Chemical Name: Propanedioic acid, bis(1-methylethyl) ester
CAS Number: 13195-64-7
Product Number: AG000ZZ9(AGN-PC-0JLUDZ)
Synonyms:
MDL No: MFCD00059359
Molecular Formula: C9H16O4
Molecular Weight: 188.2209

Identification/Properties


Properties
MP:
-51°C(lit.)
BP:
207°C at 760 mmHg
Storage:
Inert atmosphere;Room Temperature;
Form:
Liquid
Refractive Index:
n20/D 1.412(lit.)
Computed Properties
Molecular Weight:
188.223g/mol
XLogP3:
1.7
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:
164
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:
H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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