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143827-67-2 | Phenol, 4-[(3-phenyl-2-propen-1-yl)thio]-, 1-benzoate
CAS No: 143827-67-2 Catalog No: AG001IGB MDL No:
Product Description
Catalog Number:
AG001IGB
Chemical Name:
Phenol, 4-[(3-phenyl-2-propen-1-yl)thio]-, 1-benzoate
CAS Number:
143827-67-2
Molecular Formula:
C22H18O2S
Molecular Weight:
346.4421
IUPAC Name:
benzoic acid;4-(3-phenylprop-2-enylsulfanyl)phenol
InChI:
InChI=1S/C15H14OS.C7H6O2/c16-14-8-10-15(11-9-14)17-12-4-7-13-5-2-1-3-6-13;8-7(9)6-4-2-1-3-5-6/h1-11,16H,12H2;1-5H,(H,8,9)
InChI Key:
PEOKECORJLPPAL-UHFFFAOYSA-N
SMILES:
O=C(c1ccccc1)Oc1ccc(cc1)SCC=Cc1ccccc1
Properties
Complexity:
329
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
364.113g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
364.459g/mol
Monoisotopic Mass:
364.113g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
82.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
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