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38559-92-1 | 2-(4-(Benzyloxy);phenoxy);acetic acid
CAS No: 38559-92-1 Catalog No: AG003KTS MDL No:MFCD00014361
Product Description
Catalog Number:
AG003KTS
Chemical Name:
2-(4-(Benzyloxy);phenoxy);acetic acid
CAS Number:
38559-92-1
Molecular Formula:
C15H14O4
Molecular Weight:
258.2693
MDL Number:
MFCD00014361
IUPAC Name:
2-(4-phenylmethoxyphenoxy)acetic acid
InChI:
InChI=1S/C15H14O4/c16-15(17)11-19-14-8-6-13(7-9-14)18-10-12-4-2-1-3-5-12/h1-9H,10-11H2,(H,16,17)
InChI Key:
VXMSXBVTUNOSLL-UHFFFAOYSA-N
SMILES:
OC(=O)COc1ccc(cc1)OCc1ccccc1
EC Number:
254-000-2
Properties
Complexity:
265
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:
6
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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