Home Halogens Acetic acid, chlorooxo-, 1,1-dimethylethyl ester

Acetic acid, chlorooxo-, 1,1-dimethylethyl ester

CAS No.:
39061-59-1
Catalog Number:
AG0076LC
Molecular Formula:
C6H9ClO3
Molecular Weight:
164.5869
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Product Description
Catalog Number:
AG0076LC
Chemical Name:
Acetic acid, chlorooxo-, 1,1-dimethylethyl ester
CAS Number:
39061-59-1
Molecular Formula:
C6H9ClO3
Molecular Weight:
164.5869
MDL Number:
MFCD03788742
IUPAC Name:
tert-butyl 2-chloro-2-oxoacetate
InChI:
InChI=1S/C6H9ClO3/c1-6(2,3)10-5(9)4(7)8/h1-3H3
InChI Key:
UDACWKHNECHEBB-UHFFFAOYSA-N
SMILES:
O=C(C(=O)Cl)OC(C)(C)C
Properties
Complexity:
157  
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:
2  
Properties