Chemical ID: 5576261

Cc1cc([nH]n1)C(=O)OC
Chemical ID:
5576261
Name [?]:
methyl 5-methyl-2H-pyrazole-3-carboxylate
SMILES [?]:
Cc1cc([nH]n1)C(=O)OC
InChi [?]:
InChI=1/C6H8N2O2/c1-4-3-5(8-7-4)6(9)10-2/h3H,1-2H3,(H,7,8)
InChi Info:
AuxInfo=1/1/N:1,10,3,2,4,7,6,5,8,9/rA:10nCCCCNNCOOC/rB:s1;s2;d3;s4;d2s5;s4;d7;s7;s9;/rC:;;;;;;;;;;

Chemical Details

Atom Count
Formula:C6H8N2O2
All Atoms:10
Heavy Atoms:10
Chiral Atoms:0
ZAP Information [?]
Total:5.44066
Area:301.567
Solvation:-2.09851
Coulombic:-28.6404
Bond Count [?]
All:10
Single:7
Double:3
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:140.14
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:0.88
LogP (Chemaxon):-0.14

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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