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114433-13-5 | Phenol, 4-[[4-(acetyloxy)phenyl]sulfonyl]- (9CI)
CAS No: 114433-13-5 Catalog No: AG000BBW MDL No:
Product Description
Catalog Number:
AG000BBW
Chemical Name:
Phenol, 4-[[4-(acetyloxy)phenyl]sulfonyl]- (9CI)
CAS Number:
114433-13-5
Molecular Formula:
C14H12O5S
Molecular Weight:
292.3071
IUPAC Name:
[4-(4-hydroxyphenyl)sulfonylphenyl] acetate
InChI:
InChI=1S/C14H12O5S/c1-10(15)19-12-4-8-14(9-5-12)20(17,18)13-6-2-11(16)3-7-13/h2-9,16H,1H3
InChI Key:
QJUPTERQUURQHZ-UHFFFAOYSA-N
SMILES:
CC(=O)Oc1ccc(cc1)S(=O)(=O)c1ccc(cc1)O
Properties
Complexity:
423
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
292.041g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
292.305g/mol
Monoisotopic Mass:
292.041g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
89A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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