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Chemical ID: 6512284
Chemical ID:
6512284
Name [?]:
(5-ethoxy-2-hydroxy-phenyl)-phenyl-methanone
SMILES [?]:
CCOc1ccc(c(c1)C(=O)c2ccccc2)O
InChi [?]:
InChI=1/C15H14O3/c1-2-18-12-8-9-14(16)13(10-12)15(17)11-6-4-3-5-7-11/h3-10,16H,2H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,15,14,16,13,17,5,6,9,12,4,8,7,10,18,11,3/E:(4,5)(6,7)/rA:18nCCOCCCCCCCOCCCCCCO/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s8;d10;s10;s12;d13;s14;d15;d12s16;s7;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H14O3 |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.32994 |
Area: | 434.103 |
Solvation: | -3.52264 |
Coulombic: | -33.6398 |
Bond Count [?]
All: | 19 |
Single: | 12 |
Double: | 7 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 242.27 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 3.94 |
LogP (Chemaxon): | 3.72 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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