Chemical ID: 7114414

c1ccc2c(c1)ccc3c2oc(cc3=O)C(=O)O
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

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Descriptor Annotations

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