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113496-12-1,MFCD18389676
Catalog No.:AA0008OM
113496-12-1 | Benzoic acid, 2-(2-methoxy-2-oxoethoxy)-
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Technical Information
Catalog Number:
AA0008OM
Chemical Name:
Benzoic acid, 2-(2-methoxy-2-oxoethoxy)-
CAS Number:
113496-12-1
Molecular Formula:
C10H10O5
Molecular Weight:
210.1834
MDL Number:
MFCD18389676
IUPAC Name:
2-(2-methoxy-2-oxoethoxy)benzoic acid
InChI:
InChI=1S/C10H10O5/c1-14-9(11)6-15-8-5-3-2-4-7(8)10(12)13/h2-5H,6H2,1H3,(H,12,13)
InChI Key:
DNLSNTKOYMQACJ-UHFFFAOYSA-N
SMILES:
COC(=O)COc1ccccc1C(=O)O
Properties
Computed Properties
 
Complexity:
238  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
210.053g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
210.185g/mol
Monoisotopic Mass:
210.053g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
72.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  

Synonyms
 
2-(2-methoxy-2-oxoethoxy)benzoic acid 
113496-12-1 
EN300-53011 
CID11218054 
Benzoic acid, 2-(2-methoxy-2-oxoethoxy)- 
ACMC-20midi 
2-(methoxycarbonylmethoxy)benzoic Acid 
SCHEMBL4237868 
CTK0C9418 
DTXSID60459070 
ZINC20030999 
AKOS000249123 
Literature
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