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115686-68-5 | Propanoic acid, 2,2-dimethyl-, [(2-chloro-2-oxoacetyl)oxy]methyl ester
CAS No: 115686-68-5 Catalog No: AG000GRF MDL No:
Product Description
Catalog Number:
AG000GRF
Chemical Name:
Propanoic acid, 2,2-dimethyl-, [(2-chloro-2-oxoacetyl)oxy]methyl ester
CAS Number:
115686-68-5
Molecular Formula:
C8H11ClO5
Molecular Weight:
222.6229
IUPAC Name:
(2-chloro-2-oxoacetyl)oxymethyl 2,2-dimethylpropanoate
InChI:
InChI=1S/C8H11ClO5/c1-8(2,3)7(12)14-4-13-6(11)5(9)10/h4H2,1-3H3
InChI Key:
VJCYDULUSDMHMF-UHFFFAOYSA-N
SMILES:
O=C(C(=O)Cl)OCOC(=O)C(C)(C)C
Properties
Complexity:
253
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.03g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
222.621g/mol
Monoisotopic Mass:
222.03g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
69.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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