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Chemical ID: 6717331
Chemical ID:
6717331
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)ccc3c2cc(o3)C(=O)[O-]
InChi [?]:
InChI=1/C13H8O3/c14-13(15)12-7-10-9-4-2-1-3-8(9)5-6-11(10)16-12/h1-7H,(H,14,15)/p-1
InChi Info:
AuxInfo=1/1/N:1,2,6,3,7,8,11,5,4,10,9,12,14,15,16,13/E:(14,15)/rA:16nCCCCCCCCCCCCOCOO-/rB:s1;d2;s3;s4;d1s5;d5;s7;d8;d4s9;s10;d11;s9s12;s12;d14;s14;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H7O3- |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | -35.9288 |
Area: | 373.112 |
Solvation: | -45.2566 |
Coulombic: | -9.91212 |
Bond Count [?]
All: | 18 |
Single: | 11 |
Double: | 7 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 211.193 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 2.48 |
LogP (Chemaxon): | 2.91 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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