Chemical ID: 4558226

CCCc1cc2c(cc1O)oc(c(c2=O)c3ccc4c(c3)OCCO4)C
Chemical ID:
4558226
Name [?]:
3-(2,5-dioxabicyclo[4.4.0]deca-7,9,11-trien-8-yl)-7-hydroxy-2-methyl-6-propyl-chromen-4-one
SMILES [?]:
CCCc1cc2c(cc1O)oc(c(c2=O)c3ccc4c(c3)OCCO4)C
InChi [?]:
InChI=1/C21H20O5/c1-3-4-13-9-15-18(11-16(13)22)26-12(2)20(21(15)23)14-5-6-17-19(10-14)25-8-7-24-17/h5-6,9-11,22H,3-4,7-8H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,26,2,3,17,18,24,23,5,21,8,12,4,16,6,9,19,7,20,13,14,10,15,25,22,11/rA:26nCCCCCCCCCOOCCCOCCCCCCOCCOC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s7;s11;d12;s6s13;d14;s13;s16;d17;s18;d19;d16s20;s20;s22;s23;s19s24;s12;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H20O5
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:9.18471
Area:548.958
Solvation:-4.53924
Coulombic:-48.5839
Bond Count [?]
All:29
Single:21
Double:8
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:352.38
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:4.25
LogP (Chemaxon):4.16

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Descriptor Annotations

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