Chemical ID: 4623667

c1cc2cccc3c2c(c1)C(=O)OC3=O
Chemical ID:
4623667
Name [?]:
None
SMILES [?]:
c1cc2cccc3c2c(c1)C(=O)OC3=O
InChi [?]:
InChI=1/C12H6O3/c13-11-8-5-1-3-7-4-2-6-9(10(7)8)12(14)15-11/h1-6H
InChi Info:
AuxInfo=1/0/N:1,5,2,4,10,6,3,9,7,8,11,14,12,15,13/E:(1,2)(3,4)(5,6)(8,9)(11,12)(13,14)/rA:15nCCCCCCCCCCCOOCO/rB:s1;d2;s3;d4;s5;d6;s3s7;d8;d1s9;s9;d11;s11;s7s13;d14;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H6O3
All Atoms:15
Heavy Atoms:15
Chiral Atoms:0
ZAP Information [?]
Total:6.40331
Area:339.569
Solvation:-2.08591
Coulombic:-30.6406
Bond Count [?]
All:17
Single:10
Double:7
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:198.174
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:2.79
LogP (Chemaxon):2.03

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