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823175-33-3 | 3-Buten-1-ol, 4,4-bis(4-methoxyphenyl)-, 4-methylbenzenesulfonate
CAS No: 823175-33-3 Catalog No: AG0055YR MDL No:
Product Description
Catalog Number:
AG0055YR
Chemical Name:
3-Buten-1-ol, 4,4-bis(4-methoxyphenyl)-, 4-methylbenzenesulfonate
CAS Number:
823175-33-3
Molecular Formula:
C25H28O6S
Molecular Weight:
456.5512
IUPAC Name:
4,4-bis(4-methoxyphenyl)but-3-en-1-ol;4-methylbenzenesulfonic acid
InChI:
InChI=1S/C18H20O3.C7H8O3S/c1-20-16-9-5-14(6-10-16)18(4-3-13-19)15-7-11-17(21-2)12-8-15;1-6-2-4-7(5-3-6)11(8,9)10/h4-12,19H,3,13H2,1-2H3;2-5H,1H3,(H,8,9,10)
InChI Key:
CSNFJTZLOCECPP-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)S(=O)(=O)O.OCCC=C(c1ccc(cc1)OC)c1ccc(cc1)OC
Properties
Complexity:
491
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
456.161g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
456.553g/mol
Monoisotopic Mass:
456.161g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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