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Chemical ID: 4558174
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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