Butanedioic acid, methyloxo-, diethyl ester


Chemical Name: Butanedioic acid, methyloxo-, diethyl ester
CAS Number: 759-65-9
Product Number: AG0036NK(AGN-PC-0JM2OF)
Synonyms:
MDL No:
Molecular Formula: C9H14O5
Molecular Weight: 202.2045

Identification/Properties


Properties
BP:
249.9°C at 760 mmHg
Storage:
Keep in dry area;Room Temperature;
Form:
Liquid
Refractive Index:
n20/D 1.432(lit.)
Computed Properties
Molecular Weight:
202.206g/mol
XLogP3:
1.3
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
7
Exact Mass:
202.084g/mol
Monoisotopic Mass:
202.084g/mol
Topological Polar Surface Area:
69.7A^2
Heavy Atom Count:
14
Formal Charge:
0
Complexity:
233
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
1
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:
H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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