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Chemical ID: 4760598
Chemical ID:
4760598
Name [?]:
1-methyl-4-vinylsulfonyl-benzene
SMILES [?]:
Cc1ccc(cc1)S(=O)(=O)C=C
InChi [?]:
InChI=1/C9H10O2S/c1-3-12(10,11)9-6-4-8(2)5-7-9/h3-7H,1H2,2H3
InChi Info:
AuxInfo=1/0/N:12,1,11,3,7,4,6,2,5,9,10,8/E:(4,5)(6,7)(10,11)/CRV:12.6/rA:12nCCCCCCCSOOCC/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;d8;s8;d11;/rC:;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C9H10O2S |
All Atoms: | 12 |
Heavy Atoms: | 12 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.74903 |
Area: | 341.51 |
Solvation: | -1.78872 |
Coulombic: | -5.5555 |
Bond Count [?]
All: | 12 |
Single: | 6 |
Double: | 6 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 182.24 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 2.34 |
LogP (Chemaxon): | 2.14 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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