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893737-78-5,MFCD06802367
Catalog No.:AA003IPW
893737-78-5 | 3'-Acetamidobiphenyl-3-carboxylic acid
Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
98%
in stock  
$397.00   $278.00
- +
5g
98%
in stock  
$1,461.00   $1,023.00
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Technical Information
Catalog Number:
AA003IPW
Chemical Name:
3'-Acetamidobiphenyl-3-carboxylic acid
CAS Number:
893737-78-5
Molecular Formula:
C15H13NO3
Molecular Weight:
255.2686
MDL Number:
MFCD06802367
IUPAC Name:
3-(3-acetamidophenyl)benzoic acid
InChI:
InChI=1S/C15H13NO3/c1-10(17)16-14-7-3-5-12(9-14)11-4-2-6-13(8-11)15(18)19/h2-9H,1H3,(H,16,17)(H,18,19)
InChI Key:
PKQLIAIJVCDASV-UHFFFAOYSA-N
SMILES:
CC(=O)Nc1cccc(c1)c1cccc(c1)C(=O)O
Properties
Computed Properties
 
Complexity:
342  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
255.09g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
255.273g/mol
Monoisotopic Mass:
255.09g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  

Synonyms
 
3'-Acetamidobiphenyl-3-carboxylic acid 
893737-78-5 
TR-038272 
BB 0223447 
3'-Acetamido[1,1'-biphenyl]-3-carboxylic acid 
AV7 
3'-acetamidobiphenyl-3-carboxylicacid 
3-(3-acetamidophenyl)benzoic acid 
3'-(Acetylamino)[1,1'-biphenyl]-3-carboxylic acid 
3-Acetamidobiphenyl-3-carboxylic acid 
CTK5G3002 
DTXSID90602471 
MFCD06802367 
ZINC16947112 
AKOS004114851 
Literature
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