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58452-00-9,MFCD00016526
Catalog No.:AA003IW0
58452-00-9 | 3-(Benzyloxy)-4-methoxybenzoic acid
Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
95%
in stock  
$84.00   $59.00
- +
5g
95%
in stock  
$128.00   $90.00
- +
10g
95%
in stock  
$170.00   $119.00
- +
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Technical Information
Catalog Number:
AA003IW0
Chemical Name:
3-(Benzyloxy)-4-methoxybenzoic acid
CAS Number:
58452-00-9
Molecular Formula:
C15H14O4
Molecular Weight:
258.2693
MDL Number:
MFCD00016526
IUPAC Name:
4-methoxy-3-phenylmethoxybenzoic acid
InChI:
InChI=1S/C15H14O4/c1-18-13-8-7-12(15(16)17)9-14(13)19-10-11-5-3-2-4-6-11/h2-9H,10H2,1H3,(H,16,17)
InChI Key:
YPDXIGBSOBESNI-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1OCc1ccccc1)C(=O)O
EC Number:
261-260-0
Properties
Computed Properties
 
Complexity:
286  
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:
5  
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1  

Synonyms
 
3-Benzyloxy-4-methoxybenzoic acid 
58452-00-9 
EINECS 261-260-0 
ACMC-20an9h 
AC1L3RFE 
AC1Q5UOV 
CHEMBL535453 
SCHEMBL1029034 
CTK5A8326 
DTXSID80207151 
ZINC156558 
3-benzyloxy-4-methoxy-benzoic acid 
3-(benzyloxy)-4-methoxybenzoic acid 
AC1Q4772 
STL510448 
4-methoxy-3-phenylmethoxybenzoic acid 
AKOS000187021 
Benzoic acid, 3-benzyloxy-4-methoxy- 
BBV-079889 
MCULE-3225290474 
ABA-6720806 
ST057351 
Benzoic acid,4-methoxy-3-(phenylmethoxy)- 
3-Benzyloxy-p-anisic acid 
TC-169820 
FT-0615100 
C-57426 
I14-108021 
CID94057 
AR-1L5888 
C15-H14-O4 
3-BENZYLOXY-4-METHOXYBENZOICACID 
60154-17-8 
TCMDC-125534 
YPDXIGBSOBESNI-UHFFFAOYSA-N 
3-benzyloxy-4-methoxy benzoic acid 
MFCD00016526 
4-methoxy-3-(phenylmethoxy)benzoic acid 
Benzoic acid, 4-methoxy-3-(phenylmethoxy)- 
Literature
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