Home Halogens methyl 4-chloro-4-oxobut-2-enoate

methyl 4-chloro-4-oxobut-2-enoate

CAS No.:
17081-97-9
Catalog Number:
AG00AT8D
Molecular Formula:
C5H5ClO3
Molecular Weight:
148.5444
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Product Description
Catalog Number:
AG00AT8D
Chemical Name:
methyl 4-chloro-4-oxobut-2-enoate
CAS Number:
17081-97-9
Molecular Formula:
C5H5ClO3
Molecular Weight:
148.5444
MDL Number:
MFCD16876634
IUPAC Name:
methyl 4-chloro-4-oxobut-2-enoate
InChI:
InChI=1S/C5H5ClO3/c1-9-5(8)3-2-4(6)7/h2-3H,1H3
InChI Key:
JHDQHPJHLHKZDL-UHFFFAOYSA-N
SMILES:
COC(=O)C=CC(=O)Cl
Properties
Complexity:
150  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
147.993g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
148.542g/mol
Monoisotopic Mass:
147.993g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1  
XLogP3:
1.4  
Properties