Chemical ID: 7123154

c1cc(c(cc1C(=O)[O-])N)C(=O)[O-]
Chemical ID:
7123154
Name [?]:
2-aminobenzene-1,4-dicarboxylate
SMILES [?]:
c1cc(c(cc1C(=O)[O-])N)C(=O)[O-]
InChi [?]:
InChI=1/C8H7NO4/c9-6-3-4(7(10)11)1-2-5(6)8(12)13/h1-3H,9H2,(H,10,11)(H,12,13)/p-2
InChi Info:
AuxInfo=1/1/N:1,2,5,6,3,4,7,11,10,8,9,12,13/E:(10,11)(12,13)/rA:13nCCCCCCCOO-NCOO-/rB:s1;d2;s3;d4;d1s5;s6;d7;s7;s4;s3;d11;s11;/rC:;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C8H5NO4-2
All Atoms:18
Heavy Atoms:13
Chiral Atoms:0
ZAP Information [?]
Total:-96.7922
Area:333.076
Solvation:-105.119
Coulombic:4.12421
Bond Count [?]
All:13
Single:8
Double:5
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:179.13
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:0.12
LogP (Chemaxon):0.95

Name Annotations

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Descriptor Annotations

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