Butanedioic acid, chlorooxo-, diethyl ester


Chemical Name: Butanedioic acid, chlorooxo-, diethyl ester
CAS Number: 34034-87-2
Product Number: AG00382E(AGN-PC-05W6V8)
Synonyms:
MDL No:
Molecular Formula: C8H11ClO5
Molecular Weight: 222.6229

Identification/Properties


Computed Properties
Molecular Weight:
222.621g/mol
XLogP3:
1.5
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
7
Exact Mass:
222.03g/mol
Monoisotopic Mass:
222.03g/mol
Topological Polar Surface Area:
69.7A^2
Heavy Atom Count:
14
Formal Charge:
0
Complexity:
238
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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