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83069-04-9 | 1-(2-BENZYLOXY-5-HYDROXY-PHENYL)-ETHANONE
CAS No: 83069-04-9 Catalog No: AG005C82 MDL No:
Product Description
Catalog Number:
AG005C82
Chemical Name:
1-(2-BENZYLOXY-5-HYDROXY-PHENYL)-ETHANONE
CAS Number:
83069-04-9
Molecular Formula:
C15H14O3
Molecular Weight:
242.2699
IUPAC Name:
1-(5-hydroxy-2-phenylmethoxyphenyl)ethanone
InChI:
InChI=1S/C15H14O3/c1-11(16)14-9-13(17)7-8-15(14)18-10-12-5-3-2-4-6-12/h2-9,17H,10H2,1H3
InChI Key:
NBRUXIIAIJSBDG-UHFFFAOYSA-N
SMILES:
Oc1ccc(c(c1)C(=O)C)OCc1ccccc1
Properties
Complexity:
271
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.094g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
242.274g/mol
Monoisotopic Mass:
242.094g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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