Chemical ID: 6529668

c1ccc(cc1)C(=O)OOC(=O)c2ccccc2
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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