Home Other Building Blocks 5-ethoxy-3,3-dimethyl-5-oxopentanoic acid

5-ethoxy-3,3-dimethyl-5-oxopentanoic acid

CAS No.:
71885-49-9
Catalog Number:
AG01BACS
Molecular Formula:
C9H16O4
Molecular Weight:
188.2209
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Product Description
Catalog Number:
AG01BACS
Chemical Name:
5-ethoxy-3,3-dimethyl-5-oxopentanoic acid
CAS Number:
71885-49-9
Molecular Formula:
C9H16O4
Molecular Weight:
188.2209
MDL Number:
MFCD20638833
IUPAC Name:
5-ethoxy-3,3-dimethyl-5-oxopentanoic acid
InChI:
InChI=1S/C9H16O4/c1-4-13-8(12)6-9(2,3)5-7(10)11/h4-6H2,1-3H3,(H,10,11)
InChI Key:
ZBSFYDGELQITDN-UHFFFAOYSA-N
SMILES:
CCOC(=O)CC(CC(=O)O)(C)C
Properties
Complexity:
196  
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:
1.1  
Properties