Chemical ID: 6419867

c1ccc(cc1)CS(=O)(=O)O
Chemical ID:
6419867
Name [?]:
phenylmethanesulfonic acid
SMILES [?]:
c1ccc(cc1)CS(=O)(=O)O
InChi [?]:
InChI=1/C7H8O3S/c8-11(9,10)6-7-4-2-1-3-5-7/h1-5H,6H2,(H,8,9,10)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,7,4,9,10,11,8/E:(2,3)(4,5)(8,9,10)/CRV:11.6/rA:11nCCCCCCCSOOO/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;d8;s8;/rC:;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C7H8O3S
All Atoms:11
Heavy Atoms:11
Chiral Atoms:0
ZAP Information [?]
Total:5.61903
Area:315.928
Solvation:-2.27917
Coulombic:-15.4826
Bond Count [?]
All:11
Single:6
Double:5
Rotors:2
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:172.203
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:0.54
LogP (Chemaxon):0.69

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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