Chemical ID: 6499290

c1(nnc(nn1)C(=O)O)C(=O)O
Chemical ID:
6499290
Name [?]:
1,2,4,5-tetrazine-3,6-dicarboxylic acid
SMILES [?]:
c1(nnc(nn1)C(=O)O)C(=O)O
InChi [?]:
InChI=1/C4H2N4O4/c9-3(10)1-5-7-2(4(11)12)8-6-1/h(H,9,10)(H,11,12)
InChi Info:
AuxInfo=1/1/N:1,4,10,7,2,6,3,5,11,12,8,9/E:(1,2)(3,4)(5,6,7,8)(9,10,11,12)/gE:(1,2)/rA:12nCNNCNNCOOCOO/rB:s1;d2;s3;d4;d1s5;s4;d7;s7;s1;d10;s10;/rC:;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C4H2N4O4
All Atoms:12
Heavy Atoms:12
Chiral Atoms:0
ZAP Information [?]
Total:5.31327
Area:319.271
Solvation:-2.6685
Coulombic:-66.7734
Bond Count [?]
All:12
Single:7
Double:5
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:170.083
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:-3.51
LogP (Chemaxon):-0.92

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