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Chemical ID: 7114414
Chemical ID:
7114414
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)ccc3c2oc(cc3=O)C(=O)O
InChi [?]:
InChI=1/C14H8O4/c15-11-7-12(14(16)17)18-13-9-4-2-1-3-8(9)5-6-10(11)13/h1-7H,(H,16,17)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,7,8,13,5,4,9,14,12,10,16,15,17,18,11/E:(16,17)/rA:18nCCCCCCCCCCOCCCOCOO/rB:s1;d2;s3;s4;d1s5;d5;s7;d8;d4s9;s10;s11;d12;s9s13;d14;s12;d16;s16;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H8O4 |
All Atoms: | 26 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.24837 |
Area: | 400.871 |
Solvation: | -2.77339 |
Coulombic: | -45.5687 |
Bond Count [?]
All: | 20 |
Single: | 12 |
Double: | 8 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 240.211 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 2.57 |
LogP (Chemaxon): | 2.45 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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