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Chemical ID: 7092530
Chemical ID:
7092530
Name [?]:
5-cyclopropyl-2H-pyrazole-3-carboxylic acid
SMILES [?]:
c1c(n[nH]c1C(=O)O)C2CC2
InChi [?]:
InChI=1/C7H8N2O2/c10-7(11)6-3-5(8-9-6)4-1-2-4/h3-4H,1-2H2,(H,8,9)(H,10,11)
InChi Info:
AuxInfo=1/1/N:10,11,1,9,2,5,6,3,4,7,8/E:(1,2)(10,11)/rA:11nCCNNCCOOCCC/rB:s1;d2;s3;d1s4;s5;d6;s6;s2;s9;s9s10;/rC:;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C7H8N2O2 |
All Atoms: | 19 |
Heavy Atoms: | 11 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 5.90463 |
Area: | 315.544 |
Solvation: | -1.98396 |
Coulombic: | -36.8433 |
Bond Count [?]
All: | 12 |
Single: | 9 |
Double: | 3 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 152.151 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 0.77 |
LogP (Chemaxon): | 0.37 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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