Chemical ID: 5275716

Cc1cc([nH]n1)C(=O)O
Chemical ID:
5275716
Name [?]:
5-methyl-2H-pyrazole-3-carboxylic acid
SMILES [?]:
Cc1cc([nH]n1)C(=O)O
InChi [?]:
InChI=1/C5H6N2O2/c1-3-2-4(5(8)9)7-6-3/h2H,1H3,(H,6,7)(H,8,9)
InChi Info:
AuxInfo=1/1/N:1,3,2,4,7,6,5,8,9/E:(8,9)/rA:9nCCCCNNCOO/rB:s1;s2;d3;s4;d2s5;s4;d7;s7;/rC:;;;;;;;;;

Chemical Details

Atom Count
Formula:C5H6N2O2
All Atoms:9
Heavy Atoms:9
Chiral Atoms:0
ZAP Information [?]
Total:4.82116
Area:275.855
Solvation:-2.07523
Coulombic:-36.2733
Bond Count [?]
All:9
Single:6
Double:3
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:126.113
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:0.56
LogP (Chemaxon):-0.33

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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