Chemical ID: 7196455

Cc1c(cn(n1)CCC(=O)OC)[N+](=O)[O-]
Chemical ID:
7196455
Name [?]:
methyl 3-(3-methyl-4-nitro-pyrazol-1-yl)propanoate
SMILES [?]:
Cc1c(cn(n1)CCC(=O)OC)[N+](=O)[O-]
InChi [?]:
InChI=1/C8H11N3O4/c1-6-7(11(13)14)5-10(9-6)4-3-8(12)15-2/h5H,3-4H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,12,8,7,4,2,3,9,6,5,13,10,14,15,11/E:(13,14)/CRV:11.5/rA:15nCCCCNNCCCOOCN+OO-/rB:s1;s2;d3;s4;d2s5;s5;s7;s8;d9;s9;s11;s3;d13;s13;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C8H11N3O4
All Atoms:26
Heavy Atoms:15
Chiral Atoms:0
ZAP Information [?]
Total:2.71925
Area:397.858
Solvation:-7.2272
Coulombic:-34.5899
Bond Count [?]
All:15
Single:11
Double:4
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:213.191
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:0.7
LogP (Chemaxon):0.2

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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