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1181381-20-3,MFCD11895636
Catalog No.:AA003HGI
1181381-20-3 | 2-Methoxy-5-methylbiphenyl-3-carboxylic acid
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Purity
Availability
Price(USD)
Quantity
  
250mg
98%
in stock  
$167.00
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1g
98%
in stock  
$334.00
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  • Technical Information
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  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA003HGI
Chemical Name:
2-Methoxy-5-methylbiphenyl-3-carboxylic acid
CAS Number:
1181381-20-3
Molecular Formula:
C15H14O3
Molecular Weight:
242.2699
MDL Number:
MFCD11895636
IUPAC Name:
3-(2-methoxy-5-methylphenyl)benzoic acid
InChI:
InChI=1S/C15H14O3/c1-10-6-7-14(18-2)13(8-10)11-4-3-5-12(9-11)15(16)17/h3-9H,1-2H3,(H,16,17)
InChI Key:
IQUVRKGPIQPCOJ-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1c1cccc(c1)C(=O)O)C
Properties
Computed Properties
 
Complexity:
290  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.094g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
242.274g/mol
Monoisotopic Mass:
242.094g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4  

Synonyms
 
1181381-20-3 
2'-METHOXY-5'-METHYLBIPHENYL-3-CARBOXYLIC ACID 
2'-Methoxy-5'-methyl biphenyl-3-carboxylic acid 
2'-Methoxy-5'-methyl[1,1'-biphenyl]-3-carboxylic acid 
2-Methoxy-5-methylbiphenyl-3-carboxylic acid 
CTK4B0578 
DTXSID10680716 
MFCD11895636 
ZINC33427580 
AKOS012097826 
TR-034192 
K-1248 
Literature
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