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3-Phenoxybenzoic acid

CAS No.:
3739-38-6
Catalog Number:
AG0033RZ
Molecular Formula:
C13H10O3
Molecular Weight:
214.2167
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$13
- +
5g
98%
In Stock USA
United States
$25
- +
25g
98%
In Stock USA
United States
$88
- +
100g
98%
In Stock USA
United States
$263
- +
Product Description
Catalog Number:
AG0033RZ
Chemical Name:
3-Phenoxybenzoic acid
CAS Number:
3739-38-6
Molecular Formula:
C13H10O3
Molecular Weight:
214.2167
MDL Number:
MFCD00002498
IUPAC Name:
3-phenoxybenzoic acid
InChI:
InChI=1S/C13H10O3/c14-13(15)10-5-4-8-12(9-10)16-11-6-2-1-3-7-11/h1-9H,(H,14,15)
InChI Key:
NXTDJHZGHOFSQG-UHFFFAOYSA-N
SMILES:
OC(=O)c1cccc(c1)Oc1ccccc1
EC Number:
223-121-2
UNII:
69DC2655VH
Properties
Complexity:
233  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
214.063g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
214.22g/mol
Monoisotopic Mass:
214.063g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9  
Literature
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Properties