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Chemical ID: 4554997
Chemical ID:
4554997
Name [?]:
(6-hexyl-4-oxo-3-phenyl-chromen-7-yl) acetate
SMILES [?]:
CCCCCCc1cc2c(cc1OC(=O)C)occ(c2=O)c3ccccc3
InChi [?]:
InChI=1/C23H24O4/c1-3-4-5-7-12-18-13-19-22(14-21(18)27-16(2)24)26-15-20(23(19)25)17-10-8-6-9-11-17/h6,8-11,13-15H,3-5,7,12H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,16,2,3,4,25,5,24,26,23,27,6,8,11,18,14,22,7,9,19,12,10,20,15,21,17,13/E:(8,9)(10,11)/rA:27nCCCCCCCCCCCCOCOCOCCCOCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;d8;s9;d10;d7s11;s12;s13;d14;s14;s10;s17;d18;s9s19;d20;s19;s22;d23;s24;d25;d22s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H24O4 |
All Atoms: | 27 |
Heavy Atoms: | 27 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 12.1659 |
Area: | 612.549 |
Solvation: | -3.14783 |
Coulombic: | -35.8922 |
Bond Count [?]
All: | 29 |
Single: | 20 |
Double: | 9 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 364.434 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 6.29 |
LogP (Chemaxon): | 5.8 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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