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157259-26-2 | Phenol, 4-(2-propen-1-yloxy)-, 1-(4-methylbenzenesulfonate)
CAS No: 157259-26-2 Catalog No: AG001PC8 MDL No:
Product Description
Catalog Number:
AG001PC8
Chemical Name:
Phenol, 4-(2-propen-1-yloxy)-, 1-(4-methylbenzenesulfonate)
CAS Number:
157259-26-2
Molecular Formula:
C16H18O5S
Molecular Weight:
322.3761
IUPAC Name:
4-methylbenzenesulfonic acid;4-prop-2-enoxyphenol
InChI:
InChI=1S/C9H10O2.C7H8O3S/c1-2-7-11-9-5-3-8(10)4-6-9;1-6-2-4-7(5-3-6)11(8,9)10/h2-6,10H,1,7H2;2-5H,1H3,(H,8,9,10)
InChI Key:
PBJXQPLRYFGVJO-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)S(=O)(=O)O.C=CCOc1ccc(cc1)O
Properties
Complexity:
321
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
322.087g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
322.375g/mol
Monoisotopic Mass:
322.087g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
92.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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