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

3-(tert-butoxy)-2,2-dimethyl-3-oxopropanoic acid

CAS No.:
143688-40-8
Catalog Number:
AG01C4O8
Molecular Formula:
C9H16O4
Molecular Weight:
188.2209
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Product Description
Catalog Number:
AG01C4O8
Chemical Name:
3-(tert-butoxy)-2,2-dimethyl-3-oxopropanoic acid
CAS Number:
143688-40-8
Molecular Formula:
C9H16O4
Molecular Weight:
188.2209
MDL Number:
MFCD20640936
IUPAC Name:
2,2-dimethyl-3-[(2-methylpropan-2-yl)oxy]-3-oxopropanoic acid
InChI:
InChI=1S/C9H16O4/c1-8(2,3)13-7(12)9(4,5)6(10)11/h1-5H3,(H,10,11)
InChI Key:
OQXONLSMRNDAOW-UHFFFAOYSA-N
SMILES:
O=C(C(C(=O)O)(C)C)OC(C)(C)C
NSC Number:
78782
Properties
Complexity:
222  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.105g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
188.223g/mol
Monoisotopic Mass:
188.105g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  
Properties