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7478-99-1 | 2-methoxy-4-{1-[(4-methylphenyl)sulfonyl]ethyl}phenol
CAS No: 7478-99-1 Catalog No: AG005GYE MDL No:
Product Description
Catalog Number:
AG005GYE
Chemical Name:
2-methoxy-4-{1-[(4-methylphenyl)sulfonyl]ethyl}phenol
CAS Number:
7478-99-1
Molecular Formula:
C16H18O4S
Molecular Weight:
306.3767
IUPAC Name:
2-methoxy-4-[1-(4-methylphenyl)sulfonylethyl]phenol
InChI:
InChI=1S/C16H18O4S/c1-11-4-7-14(8-5-11)21(18,19)12(2)13-6-9-15(17)16(10-13)20-3/h4-10,12,17H,1-3H3
InChI Key:
WTGVEADLMJHPIC-UHFFFAOYSA-N
SMILES:
COc1cc(ccc1O)C(S(=O)(=O)c1ccc(cc1)C)C
Properties
Complexity:
420
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
306.093g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
306.376g/mol
Monoisotopic Mass:
306.093g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
72A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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