Chemical ID: 5044194

Cc1ccc(cc1)S(=O)(=O)OCCO
Chemical ID:
5044194
Name [?]:
2-(p-tolylsulfonyloxy)ethanol
SMILES [?]:
Cc1ccc(cc1)S(=O)(=O)OCCO
InChi [?]:
InChI=1/C9H12O4S/c1-8-2-4-9(5-3-8)14(11,12)13-7-6-10/h2-5,10H,6-7H2,1H3
InChi Info:
AuxInfo=1/0/N:1,3,7,4,6,13,12,2,5,14,9,10,11,8/E:(2,3)(4,5)(11,12)/CRV:14.6/rA:14nCCCCCCCSOOOCCO/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;d8;s8;s11;s12;s13;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H12O4S
All Atoms:14
Heavy Atoms:14
Chiral Atoms:0
ZAP Information [?]
Total:5.90648
Area:376.579
Solvation:-3.50801
Coulombic:-24.8553
Bond Count [?]
All:14
Single:9
Double:5
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:216.255
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:0.8
LogP (Chemaxon):1.6

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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