Home Other Building Blocks 2,2-diethyl-4-methoxy-4-oxobutanoic acid

2,2-diethyl-4-methoxy-4-oxobutanoic acid

CAS No.:
90647-79-3
Catalog Number:
AG01B1BG
Molecular Formula:
C9H16O4
Molecular Weight:
188.2209
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Product Description
Catalog Number:
AG01B1BG
Chemical Name:
2,2-diethyl-4-methoxy-4-oxobutanoic acid
CAS Number:
90647-79-3
Molecular Formula:
C9H16O4
Molecular Weight:
188.2209
MDL Number:
MFCD20643067
IUPAC Name:
2,2-diethyl-4-methoxy-4-oxobutanoic acid
InChI:
InChI=1S/C9H16O4/c1-4-9(5-2,8(11)12)6-7(10)13-3/h4-6H2,1-3H3,(H,11,12)
InChI Key:
OMSRLYFMMRURIV-UHFFFAOYSA-N
SMILES:
COC(=O)CC(C(=O)O)(CC)CC
Properties
Complexity:
194  
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:
6  
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2  
Properties