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


Chemical Name: Acetic acid, chlorooxo-, 1,1-dimethylethyl ester
CAS Number: 39061-59-1
Product Number: AG0076LC(AGN-PC-0NGBKK)
Synonyms:
MDL No:
Molecular Formula: C6H9ClO3
Molecular Weight: 164.5869

Identification/Properties


Computed Properties
Molecular Weight:
164.585g/mol
XLogP3:
2
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
3
Exact Mass:
164.024g/mol
Monoisotopic Mass:
164.024g/mol
Topological Polar Surface Area:
43.4A^2
Heavy Atom Count:
10
Formal Charge:
0
Complexity:
157
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Danger
UN#:
2922
Hazard Statements:
H331-H314
Precautionary Statements:
P260-P264-P271-P280-P301+P330+P331-P303+P361+P353-P304+P340-P305+P351+P338-P310-P363-P403+P233-P405-P501
Class:
8,6.1
Packing Group:

NMR Spectrum


Other Analytical Data


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