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


Chemical Name: Propanoic acid, 3-chloro-2,2-dimethyl-3-oxo-, ethyl ester
CAS Number: 64244-87-7
Product Number: AG00EBJ5(AGN-PC-0N6KLJ)
Synonyms:
MDL No:
Molecular Formula: C7H11ClO3
Molecular Weight: 178.6134

Identification/Properties


Computed Properties
Molecular Weight:
178.612g/mol
XLogP3:
2.1
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
4
Exact Mass:
178.04g/mol
Monoisotopic Mass:
178.04g/mol
Topological Polar Surface Area:
43.4A^2
Heavy Atom Count:
11
Formal Charge:
0
Complexity:
175
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#:
3265
Hazard Statements:
H302-H312-H314-H332
Precautionary Statements:
P260-P261-P264-P270-P271-P280-P301+P312-P301+P330+P331-P302+P352-P303+P361+P353-P304+P340-P305+P351+P338-P310-P312-P321-P322-P330-P363-P405-P501
Class:
8
Packing Group:

NMR Spectrum


Other Analytical Data


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