Chemical ID: 7116934

CCOC(=O)c1cc(nn1C)C(=O)[O-]
Chemical ID:
7116934
Name [?]:
5-ethoxycarbonyl-1-methyl-pyrazole-3-carboxylate
SMILES [?]:
CCOC(=O)c1cc(nn1C)C(=O)[O-]
InChi [?]:
InChI=1/C8H10N2O4/c1-3-14-8(13)6-4-5(7(11)12)9-10(6)2/h4H,3H2,1-2H3,(H,11,12)/p-1
InChi Info:
AuxInfo=1/1/N:1,11,2,7,8,6,12,4,9,10,13,14,5,3/E:(11,12)/rA:14nCCOCOCCCNNCCOO-/rB:s1;s2;s3;d4;s4;d6;s7;d8;s6s9;s10;s8;d12;s12;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C8H9N2O4-
All Atoms:23
Heavy Atoms:14
Chiral Atoms:0
ZAP Information [?]
Total:-35.1261
Area:372.004
Solvation:-44.4262
Coulombic:-26.2174
Bond Count [?]
All:14
Single:10
Double:4
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:197.168
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:0.02
LogP (Chemaxon):-0.11

Name Annotations

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Descriptor Annotations

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