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13333-86-3 | Acetic acid, 2-([1,1'-biphenyl]-4-yloxy)-
CAS No: 13333-86-3 Catalog No: AG0014NW MDL No:MFCD00179413
Product Description
Catalog Number:
AG0014NW
Chemical Name:
Acetic acid, 2-([1,1'-biphenyl]-4-yloxy)-
CAS Number:
13333-86-3
Molecular Formula:
C14H12O3
Molecular Weight:
228.2433
MDL Number:
MFCD00179413
IUPAC Name:
2-(4-phenylphenoxy)acetic acid
InChI:
InChI=1S/C14H12O3/c15-14(16)10-17-13-8-6-12(7-9-13)11-4-2-1-3-5-11/h1-9H,10H2,(H,15,16)
InChI Key:
UEXMWDXKHUIBSJ-UHFFFAOYSA-N
SMILES:
OC(=O)COc1ccc(cc1)c1ccccc1
NSC Number:
95738
Properties
Complexity:
238
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.079g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
228.247g/mol
Monoisotopic Mass:
228.079g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
Literature
| Title | Journal |
|---|---|
| 2-(Biphenyl-4-yl-oxy)acetic acid. | Acta crystallographica. Section E, Structure reports online 20110201 |
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