Propanedioic acid, mono(1,1-dimethylethyl) ester


Chemical Name: Propanedioic acid, mono(1,1-dimethylethyl) ester
CAS Number: 40052-13-9
Product Number: AG003JWM(AGN-PC-03H5QT)
Synonyms:
MDL No: MFCD00191886
Molecular Formula: C7H12O4
Molecular Weight: 160.1678

Identification/Properties


Properties
MP:
19-20 °C(lit.)
BP:
250.5°C at 760 mmHg
Storage:
Keep in dry area;2-8℃;
Form:
Liquid
Refractive Index:
n20/D 1.426(lit.)
Solubility:
Soluble in ethanol.
Computed Properties
Molecular Weight:
160.169g/mol
XLogP3:
0.8
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
4
Exact Mass:
160.074g/mol
Monoisotopic Mass:
160.074g/mol
Topological Polar Surface Area:
63.6A^2
Heavy Atom Count:
11
Formal Charge:
0
Complexity:
166
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:
H317-H319
Precautionary Statements:
P280-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


Request for Quotation


Customer Feedback