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1013405-79-2,MFCD20231507
Catalog No.:AA00046X
1013405-79-2 | 3-[3-(Benzyloxy)phenyl]phenylacetic acid
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Purity
Availability
Price(USD)
Quantity
  
1g
96%
in stock  
$285.00   $200.00
- +
5g
96%
in stock  
$953.00   $667.00
- +
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Technical Information
Catalog Number:
AA00046X
Chemical Name:
3-[3-(Benzyloxy)phenyl]phenylacetic acid
CAS Number:
1013405-79-2
Molecular Formula:
C21H18O3
Molecular Weight:
318.3658
MDL Number:
MFCD20231507
IUPAC Name:
2-[3-(3-phenylmethoxyphenyl)phenyl]acetic acid
InChI:
InChI=1S/C21H18O3/c22-21(23)13-17-8-4-9-18(12-17)19-10-5-11-20(14-19)24-15-16-6-2-1-3-7-16/h1-12,14H,13,15H2,(H,22,23)
InChI Key:
JQQXZQKQAYXIHW-UHFFFAOYSA-N
SMILES:
OC(=O)Cc1cccc(c1)c1cccc(c1)OCc1ccccc1
Properties
Computed Properties
 
Complexity:
389  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
318.126g/mol
Formal Charge:
0
Heavy Atom Count:
24  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
318.372g/mol
Monoisotopic Mass:
318.126g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5  

Synonyms
 
3-[3-(Benzyloxy)phenyl]phenylacetic acid 
1013405-79-2 
AKOS015893104 
AJ-121561 
TC-103200 
B-6249 
[3'-(Benzyloxy)[1,1'-biphenyl]-3-yl]acetic acid 
I04-2189 
[1,1'-Biphenyl]-3-acetic acid, 3'-(phenylmethoxy)- 
2-(3'-(Benzyloxy)-[1,1'-biphenyl]-3-yl)acetic acid 
ACMC-2097ux 
SCHEMBL3908596 
CTK8A8993 
DTXSID20716590 
ANW-14455 
MFCD20231507 
ZINC74938311 
Literature
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