2-Butenedioic acid, 2-chloro-, diethyl ester, (E)-


Chemical Name: 2-Butenedioic acid, 2-chloro-, diethyl ester, (E)-
CAS Number: 626-10-8
Product Number: AG00EEFY(AGN-PC-0ODSS2)
Synonyms:
MDL No:
Molecular Formula: C8H11ClO4
Molecular Weight: 206.62354

Identification/Properties


Computed Properties
Molecular Weight:
206.622g/mol
XLogP3:
1.8
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
6
Exact Mass:
206.035g/mol
Monoisotopic Mass:
206.035g/mol
Topological Polar Surface Area:
52.6A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
222
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


NMR Spectrum


Other Analytical Data


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