Chemical ID: 4554997

CCCCCCc1cc2c(cc1OC(=O)C)occ(c2=O)c3ccccc3
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

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue