Home Halogens Propanoic acid, 3-chloro-2,2-dimethyl-3-oxo-, methyl ester

Propanoic acid, 3-chloro-2,2-dimethyl-3-oxo-, methyl ester

CAS No.:
64507-20-6
Catalog Number:
AG00H6F1
Molecular Formula:
C6H9ClO3
Molecular Weight:
164.5869
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Product Description
Catalog Number:
AG00H6F1
Chemical Name:
Propanoic acid, 3-chloro-2,2-dimethyl-3-oxo-, methyl ester
CAS Number:
64507-20-6
Molecular Formula:
C6H9ClO3
Molecular Weight:
164.5869
MDL Number:
MFCD28517441
IUPAC Name:
methyl 3-chloro-2,2-dimethyl-3-oxopropanoate
InChI:
InChI=1S/C6H9ClO3/c1-6(2,4(7)8)5(9)10-3/h1-3H3
InChI Key:
YHZPQWZDBDVTIT-UHFFFAOYSA-N
SMILES:
COC(=O)C(C(=O)Cl)(C)C
Properties
Complexity:
162  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
164.024g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
164.585g/mol
Monoisotopic Mass:
164.024g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  
Properties