Home Other Building Blocks 3-ethoxy-4-(2-methoxy-2-oxoethoxy)benzoic acid

3-ethoxy-4-(2-methoxy-2-oxoethoxy)benzoic acid

CAS No.:
1016829-67-6
Catalog Number:
AG01AAJA
Molecular Formula:
C12H14O6
Molecular Weight:
254.2360
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Product Description
Catalog Number:
AG01AAJA
Chemical Name:
3-ethoxy-4-(2-methoxy-2-oxoethoxy)benzoic acid
CAS Number:
1016829-67-6
Molecular Formula:
C12H14O6
Molecular Weight:
254.2360
MDL Number:
MFCD09938653
IUPAC Name:
3-ethoxy-4-(2-methoxy-2-oxoethoxy)benzoic acid
InChI:
InChI=1S/C12H14O6/c1-3-17-10-6-8(12(14)15)4-5-9(10)18-7-11(13)16-2/h4-6H,3,7H2,1-2H3,(H,14,15)
InChI Key:
HQWYDNQKPNKLAP-UHFFFAOYSA-N
SMILES:
CCOc1cc(ccc1OCC(=O)OC)C(=O)O
Properties
Complexity:
290  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.079g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
254.238g/mol
Monoisotopic Mass:
254.079g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
82.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  
Properties