Chemical ID: 4558174

Cc1c(c(=O)c2c(cc(cc2o1)O)O)c3ccc4c(c3)OCCO4
Chemical ID:
4558174
Name [?]:
3-(2,5-dioxabicyclo[4.4.0]deca-7,9,11-trien-8-yl)-5,7-dihydroxy-2-methyl-chromen-4-one
SMILES [?]:
Cc1c(c(=O)c2c(cc(cc2o1)O)O)c3ccc4c(c3)OCCO4
InChi [?]:
InChI=1/C18H14O6/c1-9-16(10-2-3-13-14(6-10)23-5-4-22-13)18(21)17-12(20)7-11(19)8-15(17)24-9/h2-3,6-8,19-20H,4-5H2,1H3
InChi Info:
AuxInfo=1/0/N:1,16,17,23,22,20,8,10,2,15,9,7,18,19,11,3,6,4,13,14,5,24,21,12/rA:24nCCCCOCCCCCCOOOCCCCCCOCCO/rB:s1;d2;s3;d4;s4;s6;d7;s8;d9;d6s10;s2s11;s9;s7;s3;s15;d16;s17;d18;d15s19;s19;s21;s22;s18s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H14O6
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:6.38938
Area:490.36
Solvation:-5.86961
Coulombic:-61.9834
Bond Count [?]
All:27
Single:19
Double:8
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:326.3
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:2.58
LogP (Chemaxon):3.27

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Descriptor Annotations

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