Pentanedioic acid, dimethyl ester


Chemical Name: Pentanedioic acid, dimethyl ester
CAS Number: 1119-40-0
Product Number: AG003QRT(AGN-PC-0JKBMS)
Synonyms:
MDL No:
Molecular Formula: C7H12O4
Molecular Weight: 160.1678

Identification/Properties


Properties
MP:
−13 °C(lit.)
BP:
93-95°C at 13 mmHg
Storage:
Keep in dry area;Room Temperature;
Form:
Liquid
Refractive Index:
n20/D 1.424(lit.)
Solubility:
4.3g/l
Computed Properties
Molecular Weight:
160.169g/mol
XLogP3:
0.6
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
6
Exact Mass:
160.074g/mol
Monoisotopic Mass:
160.074g/mol
Topological Polar Surface Area:
52.6A^2
Heavy Atom Count:
11
Formal Charge:
0
Complexity:
125
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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