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

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

CAS No.:
37472-52-9
Catalog Number:
AG01C3EZ
Molecular Formula:
C8H14O4
Molecular Weight:
174.1944
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Product Description
Catalog Number:
AG01C3EZ
Chemical Name:
3-(tert-butoxy)-2-methyl-3-oxopropanoic acid
CAS Number:
37472-52-9
Molecular Formula:
C8H14O4
Molecular Weight:
174.1944
MDL Number:
MFCD20639075
IUPAC Name:
2-methyl-3-[(2-methylpropan-2-yl)oxy]-3-oxopropanoic acid
InChI:
InChI=1S/C8H14O4/c1-5(6(9)10)7(11)12-8(2,3)4/h5H,1-4H3,(H,9,10)
InChI Key:
IDARKWFFLKAWQP-UHFFFAOYSA-N
SMILES:
CC(C(=O)OC(C)(C)C)C(=O)O
Properties
Complexity:
190  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
174.089g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
174.196g/mol
Monoisotopic Mass:
174.089g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4  
Properties