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Chemical ID: 7520406
Chemical ID:
7520406
Name [?]:
(4-benzoylphenyl)methyl 2-hydroxy-3-methyl-benzoate
SMILES [?]:
Cc1cccc(c1O)C(=O)OCc2ccc(cc2)C(=O)c3ccccc3
InChi [?]:
InChI=1/C22H18O4/c1-15-6-5-9-19(20(15)23)22(25)26-14-16-10-12-18(13-11-16)21(24)17-7-3-2-4-8-17/h2-13,23H,14H2,1H3
InChi Info:
AuxInfo=1/0/N:1,24,23,25,4,3,22,26,5,14,18,15,17,12,2,13,21,16,6,7,19,9,8,20,10,11/E:(3,4)(7,8)(10,11)(12,13)/rA:26nCCCCCCCOCOOCCCCCCCCOCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s6;d9;s9;s11;s12;s13;d14;s15;d16;d13s17;s16;d19;s19;s21;d22;s23;d24;d21s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H18O4 |
All Atoms: | 44 |
Heavy Atoms: | 26 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 10.6565 |
Area: | 576.148 |
Solvation: | -3.74716 |
Coulombic: | -48.0946 |
Bond Count [?]
All: | 28 |
Single: | 17 |
Double: | 11 |
Rotors: | 6 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 6.02 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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