Chemical ID: 4557852

CCCc1cc2c(cc1OCC(=O)O)oc(c(c2=O)c3ccc4c(c3)OCCO4)C
Chemical ID:
4557852
Name [?]:
2-[3-(2,5-dioxabicyclo[4.4.0]deca-7,9,11-trien-8-yl)-2-methyl-4-oxo-6-propyl-chromen-7-yl]oxyacetic acid
SMILES [?]:
CCCc1cc2c(cc1OCC(=O)O)oc(c(c2=O)c3ccc4c(c3)OCCO4)C
InChi [?]:
InChI=1/C23H22O7/c1-3-4-14-9-16-19(11-18(14)29-12-21(24)25)30-13(2)22(23(16)26)15-5-6-17-20(10-15)28-8-7-27-17/h5-6,9-11H,3-4,7-8,12H2,1-2H3,(H,24,25)
InChi Info:
AuxInfo=1/1/N:1,30,2,3,21,22,28,27,5,25,8,11,16,4,20,6,23,9,7,24,12,17,18,13,14,19,29,26,10,15/E:(24,25)/rA:30nCCCCCCCCCOCCOOOCCCOCCCCCCOCCOC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;s11;d12;s12;s7;s15;d16;s6s17;d18;s17;s20;d21;s22;d23;d20s24;s24;s26;s27;s23s28;s16;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H22O7
All Atoms:30
Heavy Atoms:30
Chiral Atoms:0
ZAP Information [?]
Total:9.28168
Area:627.563
Solvation:-6.40739
Coulombic:-65.9608
Bond Count [?]
All:33
Single:24
Double:9
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:410.417
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:3.95
LogP (Chemaxon):3.74

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Descriptor Annotations

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