Home Other Building Blocks 3-(2-ethoxy-2-oxoethoxy)benzoic acid

3-(2-ethoxy-2-oxoethoxy)benzoic acid

CAS No.:
1016826-94-0
Catalog Number:
AG019WMD
Molecular Formula:
C11H12O5
Molecular Weight:
224.2100
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Product Description
Catalog Number:
AG019WMD
Chemical Name:
3-(2-ethoxy-2-oxoethoxy)benzoic acid
CAS Number:
1016826-94-0
Molecular Formula:
C11H12O5
Molecular Weight:
224.2100
MDL Number:
MFCD09945858
IUPAC Name:
3-(2-ethoxy-2-oxoethoxy)benzoic acid
InChI:
InChI=1S/C11H12O5/c1-2-15-10(12)7-16-9-5-3-4-8(6-9)11(13)14/h3-6H,2,7H2,1H3,(H,13,14)
InChI Key:
MMOFOGZKRRPULJ-UHFFFAOYSA-N
SMILES:
CCOC(=O)COc1cccc(c1)C(=O)O
Properties
Complexity:
251  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.068g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
224.212g/mol
Monoisotopic Mass:
224.068g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
72.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  
Properties