Chemical ID: 4552910

c1(c(n[nH]n1)C(=O)O)C(=O)O
Chemical ID:
4552910
Name [?]:
2H-triazole-4,5-dicarboxylic acid
SMILES [?]:
c1(c(n[nH]n1)C(=O)O)C(=O)O
InChi [?]:
InChI=1/C4H3N3O4/c8-3(9)1-2(4(10)11)6-7-5-1/h(H,8,9)(H,10,11)(H,5,6,7)
InChi Info:
AuxInfo=1/1/N:1,2,9,6,5,3,4,10,11,7,8/E:(1,2)(3,4)(5,6)(8,9,10,11)/gE:(1,2)/rA:11nCCNNNCOOCOO/rB:s1;d2;s3;d1s4;s2;d6;s6;s1;d9;s9;/rC:;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C4H3N3O4
All Atoms:11
Heavy Atoms:11
Chiral Atoms:0
ZAP Information [?]
Total:4.09552
Area:291.075
Solvation:-3.18136
Coulombic:-63.1023
Bond Count [?]
All:11
Single:7
Double:4
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:157.084
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:0.22
LogP (Chemaxon):-0.48

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Descriptor Annotations

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