Home Carboxys Acetic acid, (carboxymethoxy)-, 1-(1,1-dimethylethyl) ester

Acetic acid, (carboxymethoxy)-, 1-(1,1-dimethylethyl) ester

CAS No.:
120289-22-7
Catalog Number:
AG008163
Molecular Formula:
C8H14O5
Molecular Weight:
190.1938
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Product Description
Catalog Number:
AG008163
Chemical Name:
Acetic acid, (carboxymethoxy)-, 1-(1,1-dimethylethyl) ester
CAS Number:
120289-22-7
Molecular Formula:
C8H14O5
Molecular Weight:
190.1938
MDL Number:
MFCD20640417
IUPAC Name:
2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]acetic acid
InChI:
InChI=1S/C8H14O5/c1-8(2,3)13-7(11)5-12-4-6(9)10/h4-5H2,1-3H3,(H,9,10)
InChI Key:
KFROMFPUCBQIKX-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)COCC(=O)O
Properties
Complexity:
191  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
190.084g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
190.195g/mol
Monoisotopic Mass:
190.084g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
72.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6  
Properties