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Chemical ID: 5044194
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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