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2-[(4-methylbenzenesulfonyl)oxy]benzoic acid

2-[(4-methylbenzenesulfonyl)oxy]benzoic acid

Formula: C14H12O5S

SMILES: CC1=CC=C(C=C1)S(=O)(=O)OC1=CC=CC=C1C(O)=O

IUPAC: 2-[(4-methylbenzenesulfonyl)oxy]benzoic acid

InChI: InChI=1S/C14H12O5S/c1-10-6-8-11(9-7-10)20(17,18)19-13-5-3-2-4-12(13)14(15)16/h2-9H,1H3,(H,15,16)

Composition: C (57.53%), H (4.14%), O (27.37%), S (10.97%)

Molar Mass: 292.31

Atom Count: 32

Heavy Atom Count: 20

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 292.04054466
Formal Charge 0
FSP3 0.07
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 1
InChIKey DPDKNUJZTCXXLI-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 73.24
Topological Polar Surface Area 80.67
Polarizability 28.86
Ring Count 2
Rotatable Bond Count 4

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Purity (%)
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Purity LeadTime Formula UnitPrice
98% <10 Days C14H12O5S Quote Only