Chemical ID: 6424152

CC(=CCOc1c2c(ccc(=O)o2)c(c3c1occ3)OC)C
Chemical ID:
6424152
Name [?]:
None
SMILES [?]:
CC(=CCOc1c2c(ccc(=O)o2)c(c3c1occ3)OC)C
InChi [?]:
InChI=1/C17H16O5/c1-10(2)6-8-21-17-15-12(7-9-20-15)14(19-3)11-4-5-13(18)22-16(11)17/h4-7,9H,8H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,22,21,9,10,3,19,4,18,2,8,15,11,14,16,7,6,12,20,17,5,13/E:(1,2)/rA:22nCCCCOCCCCCCOOCCCOCCOCC/rB:s1;d2;s3;s4;s5;s6;d7;s8;d9;s10;d11;s7s11;s8;d14;d6s15;s16;s17;s15d18;s14;s20;s2;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H16O5
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:6.90106
Area:491.704
Solvation:-5.39153
Coulombic:-40.8619
Bond Count [?]
All:24
Single:17
Double:7
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:300.306
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:2.85
LogP (Chemaxon):3.43

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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