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Chemical ID: 6529668
Chemical ID:
6529668
Name [?]:
benzoyl benzenecarboperoxoate
SMILES [?]:
c1ccc(cc1)C(=O)OOC(=O)c2ccccc2
InChi [?]:
InChI=1/C14H10O4/c15-13(11-7-3-1-4-8-11)17-18-14(16)12-9-5-2-6-10-12/h1-10H
InChi Info:
AuxInfo=1/0/N:1,16,2,6,15,17,3,5,14,18,4,13,7,11,8,12,9,10/E:(1,2)(3,4,5,6)(7,8,9,10)(11,12)(13,14)(15,16)(17,18)/rA:18nCCCCCCCOOOCOCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;d7;s7;s9;s10;d11;s11;s13;d14;s15;d16;d13s17;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H10O4 |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.15958 |
Area: | 441.142 |
Solvation: | -1.86897 |
Coulombic: | -32.711 |
Bond Count [?]
All: | 19 |
Single: | 11 |
Double: | 8 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 242.227 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 3.32 |
LogP (Chemaxon): | 3.35 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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