Chemical ID: 4260379

Cc1ccc(cc1)S(=O)(=O)O
Chemical ID:
4260379
Name [?]:
4-methylbenzenesulfonic acid
SMILES [?]:
Cc1ccc(cc1)S(=O)(=O)O
InChi [?]:
InChI=1/C7H8O3S/c1-6-2-4-7(5-3-6)11(8,9)10/h2-5H,1H3,(H,8,9,10)
InChi Info:
AuxInfo=1/1/N:1,3,7,4,6,2,5,9,10,11,8/E:(2,3)(4,5)(8,9,10)/CRV:11.6/rA:11nCCCCCCCSOOO/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;d8;s8;/rC:;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C7H8O3S
All Atoms:11
Heavy Atoms:11
Chiral Atoms:0
ZAP Information [?]
Total:6.30076
Area:314.158
Solvation:-1.55318
Coulombic:-16.9211
Bond Count [?]
All:11
Single:6
Double:5
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:172.203
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:0.99
LogP (Chemaxon):1.32

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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