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Chemical ID: 6659254
Chemical ID:
6659254
Name [?]:
methyl 2-benzoyloxybenzoate
SMILES [?]:
COC(=O)c1ccccc1OC(=O)c2ccccc2
InChi [?]:
InChI=1/C15H12O4/c1-18-15(17)12-9-5-6-10-13(12)19-14(16)11-7-3-2-4-8-11/h2-10H,1H3
InChi Info:
AuxInfo=1/0/N:1,17,16,18,7,8,15,19,6,9,14,5,10,12,3,13,4,2,11/E:(3,4)(7,8)/rA:19nCOCOCCCCCCOCOCCCCCC/rB:s1;s2;d3;s3;s5;d6;s7;d8;d5s9;s10;s11;d12;s12;s14;d15;s16;d17;d14s18;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H12O4 |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.85684 |
Area: | 438.267 |
Solvation: | -2.09985 |
Coulombic: | -41.9435 |
Bond Count [?]
All: | 20 |
Single: | 12 |
Double: | 8 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 256.253 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 3.46 |
LogP (Chemaxon): | 2.82 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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