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19082-52-1 | Phenol, 4-phenoxy-, 1-acetate
CAS No: 19082-52-1 Catalog No: AG002EUV MDL No:
Product Description
Catalog Number:
AG002EUV
Chemical Name:
Phenol, 4-phenoxy-, 1-acetate
CAS Number:
19082-52-1
Molecular Formula:
C14H12O3
Molecular Weight:
228.2433
IUPAC Name:
acetic acid;4-phenoxyphenol
InChI:
InChI=1S/C12H10O2.C2H4O2/c13-10-6-8-12(9-7-10)14-11-4-2-1-3-5-11;1-2(3)4/h1-9,13H;1H3,(H,3,4)
InChI Key:
PNMLYRBNMMANPY-UHFFFAOYSA-N
SMILES:
CC(=O)Oc1ccc(cc1)Oc1ccccc1
Properties
Complexity:
187
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.089g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
246.262g/mol
Monoisotopic Mass:
246.089g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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