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676348-31-5,MFCD03424611
Catalog No.:AA003IF4
676348-31-5 | 3',4'-Dimethoxybiphenyl-3-carboxylic acid
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1g
98%
in stock  
$222.00   $155.00
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5g
98%
in stock  
$762.00   $534.00
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Technical Information
Catalog Number:
AA003IF4
Chemical Name:
3',4'-Dimethoxybiphenyl-3-carboxylic acid
CAS Number:
676348-31-5
Molecular Formula:
C15H14O4
Molecular Weight:
258.2693
MDL Number:
MFCD03424611
IUPAC Name:
3-(3,4-dimethoxyphenyl)benzoic acid
InChI:
InChI=1S/C15H14O4/c1-18-13-7-6-11(9-14(13)19-2)10-4-3-5-12(8-10)15(16)17/h3-9H,1-2H3,(H,16,17)
InChI Key:
ZDBOLXDKLAYRRK-UHFFFAOYSA-N
SMILES:
COc1cc(ccc1OC)c1cccc(c1)C(=O)O
Properties
Computed Properties
 
Complexity:
305  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
258.089g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
258.273g/mol
Monoisotopic Mass:
258.089g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3  

Synonyms
 
676348-31-5 
3',4'-dimethoxybiphenyl-3-carboxylic acid 
DTXSID40374313 
ZINC2574077 
0416AC 
ANW-73946 
AKOS010253736 
FS-6025 
RTR-022710 
AJ-42192 
SC-62479 
DB-021919 
3',4'-Dimethoxy-[1,1'-biphenyl]-3-carboxylic acid 
FT-0644831 
3',4'-dimethoxy[1,1'-biphenyl]-3-carboxylic acid 
I04-2675 
[1,1'-Biphenyl]-3-carboxylicacid, 3',4'-dimethoxy- 
C15H14O4 
CID2758409 
3',4'-Dimethoxy-[1,1'-biphenyl]-3-carboxylicacid 
3',4'-Dimethoxy-biphenyl-3-carboxylic acid 
3-(3,4-dimethoxyphenyl)benzoic Acid 
3,4-Dimethoxybiphenyl-3-carboxylic acid 
ACMC-20ahrg 
AC1MBY3C 
SCHEMBL5151529 
CTK2F7614 
Literature
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