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Chemical ID: 7433164
Chemical ID:
7433164
Name [?]:
5-ethyl-2H-pyrazole-3-carboxylic acid
SMILES [?]:
CCc1cc([nH]n1)C(=O)O
InChi [?]:
InChI=1/C6H8N2O2/c1-2-4-3-5(6(9)10)8-7-4/h3H,2H2,1H3,(H,7,8)(H,9,10)
InChi Info:
AuxInfo=1/1/N:1,2,4,3,5,8,7,6,9,10/E:(9,10)/rA:10nCCCCCNNCOO/rB:s1;s2;s3;d4;s5;d3s6;s5;d8;s8;/rC:;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C6H8N2O2 |
All Atoms: | 18 |
Heavy Atoms: | 10 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 5.49544 |
Area: | 300.005 |
Solvation: | -2.00467 |
Coulombic: | -36.7354 |
Bond Count [?]
All: | 10 |
Single: | 7 |
Double: | 3 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 140.14 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 0.82 |
LogP (Chemaxon): | 0.3 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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