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Chemical ID: 5647683
Chemical ID:
5647683
Name [?]:
None
SMILES [?]:
c1cc(=O)oc2c1cc3ccoc3c2O
InChi [?]:
InChI=1/C11H6O4/c12-8-2-1-6-5-7-3-4-14-10(7)9(13)11(6)15-8/h1-5,13H
InChi Info:
AuxInfo=1/0/N:1,2,10,11,8,7,9,3,14,13,6,4,15,12,5/rA:15nCCCOOCCCCCCOCCO/rB:d1;s2;d3;s3;s5;s1s6;d7;s8;s9;d10;s11;d9s12;d6s13;s14;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H6O4 |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 4.27982 |
Area: | 347.717 |
Solvation: | -4.4131 |
Coulombic: | -41.0776 |
Bond Count [?]
All: | 17 |
Single: | 11 |
Double: | 6 |
Rotors: | 0 |
Chiral: | 0 |
Rigid Segments: | 1 |
Chemical Properties
Molecular Weight: | 202.163 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 1.41 |
LogP (Chemaxon): | 3.06 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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