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Chemical ID: 7347794
Chemical ID:
7347794
Name [?]:
[2-(3-oxo-3-phenyl-prop-1-enyl)phenyl] acetate
SMILES [?]:
CC(=O)Oc1ccccc1C=CC(=O)c2ccccc2
InChi [?]:
InChI=1/C17H14O3/c1-13(18)20-17-10-6-5-9-15(17)11-12-16(19)14-7-3-2-4-8-14/h2-12H,1H3
InChi Info:
AuxInfo=1/0/N:1,18,17,19,8,7,16,20,9,6,11,12,2,15,10,13,5,3,14,4/E:(3,4)(7,8)/rA:20nCCOOCCCCCCCCCOCCCCCC/rB:s1;d2;s2;s4;s5;d6;s7;d8;d5s9;s10;w11;s12;d13;s13;s15;d16;s17;d18;d15s19;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H14O3 |
All Atoms: | 34 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.18758 |
Area: | 478.261 |
Solvation: | -2.76896 |
Coulombic: | -29.0262 |
Bond Count [?]
All: | 21 |
Single: | 12 |
Double: | 9 |
Rotors: | 5 |
Chiral: | 1 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 266.291 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 3.63 |
LogP (Chemaxon): | 3.51 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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