Home Halogens 1,3-dimethyl 2-(chloromethylidene)propanedioate

1,3-dimethyl 2-(chloromethylidene)propanedioate

CAS No.:
38238-77-6
Catalog Number:
AG01BCOM
Molecular Formula:
C6H7ClO4
Molecular Weight:
178.5704
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Product Description
Catalog Number:
AG01BCOM
Chemical Name:
1,3-dimethyl 2-(chloromethylidene)propanedioate
CAS Number:
38238-77-6
Molecular Formula:
C6H7ClO4
Molecular Weight:
178.5704
MDL Number:
MFCD20621669
IUPAC Name:
dimethyl 2-(chloromethylidene)propanedioate
InChI:
InChI=1S/C6H7ClO4/c1-10-5(8)4(3-7)6(9)11-2/h3H,1-2H3
InChI Key:
LGENZLZZCBFXML-UHFFFAOYSA-N
SMILES:
COC(=O)C(=CCl)C(=O)OC
Properties
Complexity:
179  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.003g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
178.568g/mol
Monoisotopic Mass:
178.003g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1  
Properties