Home Other Building Blocks 3-(tert-butoxy)-2-methoxy-3-oxopropanoic acid

3-(tert-butoxy)-2-methoxy-3-oxopropanoic acid

CAS No.:
87545-71-9
Catalog Number:
AG01BS0E
Molecular Formula:
C8H14O5
Molecular Weight:
190.1938
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Product Description
Catalog Number:
AG01BS0E
Chemical Name:
3-(tert-butoxy)-2-methoxy-3-oxopropanoic acid
CAS Number:
87545-71-9
Molecular Formula:
C8H14O5
Molecular Weight:
190.1938
MDL Number:
MFCD20641961
IUPAC Name:
2-methoxy-3-[(2-methylpropan-2-yl)oxy]-3-oxopropanoic acid
InChI:
InChI=1S/C8H14O5/c1-8(2,3)13-7(11)5(12-4)6(9)10/h5H,1-4H3,(H,9,10)
InChI Key:
GYIFQIIXFNIGSW-UHFFFAOYSA-N
SMILES:
COC(C(=O)OC(C)(C)C)C(=O)O
Properties
Complexity:
203  
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:
5  
Topological Polar Surface Area:
72.8A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8  
Properties