Chemical ID: 6752781

c1c(c(n[nH]1)C(=O)[O-])[N+](=O)[O-]
Chemical ID:
6752781
Name [?]:
4-nitro-1H-pyrazole-3-carboxylate
SMILES [?]:
c1c(c(n[nH]1)C(=O)[O-])[N+](=O)[O-]
InChi [?]:
InChI=1/C4H3N3O4/c8-4(9)3-2(7(10)11)1-5-6-3/h1H,(H,5,6)(H,8,9)/p-1
InChi Info:
AuxInfo=1/1/N:1,2,3,6,5,4,9,7,8,10,11/E:(8,9)(10,11)/CRV:7.5/rA:11nCCCNNCOO-N+OO-/rB:d1;s2;d3;s1s4;s3;d6;s6;s2;d9;s9;/rC:;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C4H2N3O4-
All Atoms:13
Heavy Atoms:11
Chiral Atoms:0
ZAP Information [?]
Total:-42.5678
Area:287.73
Solvation:-49.761
Coulombic:-22.0864
Bond Count [?]
All:11
Single:7
Double:4
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:156.077
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:-0.06
LogP (Chemaxon):0.24

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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