Chemical ID: 7669186

CC1=CC(=O)N(C1=O)c2cccc(c2)C(=O)O
Chemical ID:
7669186
Name [?]:
None
SMILES [?]:
CC1=CC(=O)N(C1=O)c2cccc(c2)C(=O)O
InChi [?]:
InChI=1/C12H9NO4/c1-7-5-10(14)13(11(7)15)9-4-2-3-8(6-9)12(16)17/h2-6H,1H3,(H,16,17)
InChi Info:
AuxInfo=1/1/N:1,11,12,10,3,14,2,13,9,4,7,15,6,5,8,16,17/E:(16,17)/rA:17nCCCCONCOCCCCCCCOO/rB:s1;d2;s3;d4;s4;s2s6;d7;s6;s9;d10;s11;d12;d9s13;s13;d15;s15;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H9NO4
All Atoms:26
Heavy Atoms:17
Chiral Atoms:None
ZAP Information [?]
Total:6.88667
Area:394.144
Solvation:-2.96692
Coulombic:-52.7605
Bond Count [?]
All:18
Single:11
Double:7
Rotors:2
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:0.79
LogP (Chemaxon):None

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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