Butanedioic acid, (2-oxopropyl)-, diethyl ester


Chemical Name: Butanedioic acid, (2-oxopropyl)-, diethyl ester
CAS Number: 1187-74-2
Product Number: AG007PQW(AGN-PC-015IN3)
Synonyms:
MDL No:
Molecular Formula: C11H18O5
Molecular Weight: 230.2576

Identification/Properties


Computed Properties
Molecular Weight:
230.26g/mol
XLogP3:
0.3
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
9
Exact Mass:
230.115g/mol
Monoisotopic Mass:
230.115g/mol
Topological Polar Surface Area:
69.7A^2
Heavy Atom Count:
16
Formal Charge:
0
Complexity:
259
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#:
N/A
Hazard Statements:
H302-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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