Home Halogens (E)-Ethyl 4-chloro-4-oxobut-2-enoate

(E)-Ethyl 4-chloro-4-oxobut-2-enoate

CAS No.:
26367-48-6
Catalog Number:
AG003QF3
Molecular Formula:
C6H7ClO3
Molecular Weight:
162.5710
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Product Description
Catalog Number:
AG003QF3
Chemical Name:
(E)-Ethyl 4-chloro-4-oxobut-2-enoate
CAS Number:
26367-48-6
Molecular Formula:
C6H7ClO3
Molecular Weight:
162.5710
MDL Number:
MFCD03002066
IUPAC Name:
ethyl (E)-4-chloro-4-oxobut-2-enoate
InChI:
InChI=1S/C6H7ClO3/c1-2-10-6(9)4-3-5(7)8/h3-4H,2H2,1H3/b4-3+
InChI Key:
YYLWXDIGYFPUSK-ONEGZZNKSA-N
SMILES:
CCOC(=O)/C=C/C(=O)Cl
Properties
Complexity:
162  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1  
Exact Mass:
162.008g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
162.569g/mol
Monoisotopic Mass:
162.008g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2  
Properties