Chemical ID: 7189636

Cc1c(cn(n1)C(C)C(=O)OC)[N+](=O)[O-]
Chemical ID:
7189636
Name [?]:
methyl 2-(3-methyl-4-nitro-pyrazol-1-yl)propanoate
SMILES [?]:
Cc1c(cn(n1)C(C)C(=O)OC)[N+](=O)[O-]
InChi [?]:
InChI=1/C8H11N3O4/c1-5-7(11(13)14)4-10(9-5)6(2)8(12)15-3/h4,6H,1-3H3
InChi Info:
AuxInfo=1/0/N:1,8,12,4,2,7,3,9,6,5,13,10,14,15,11/E:(13,14)/CRV:11.5/rA:15cCCCCNNCCCOOCN+OO-/rB:s1;s2;d3;s4;d2s5;s5;s7;s7;d9;s9;s11;s3;d13;s13;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C8H11N3O4
All Atoms:26
Heavy Atoms:15
Chiral Atoms:1
ZAP Information [?]
Total:3.12635
Area:383.941
Solvation:-6.47218
Coulombic:-37.1055
Bond Count [?]
All:15
Single:11
Double:4
Rotors:4
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:213.191
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:1.06
LogP (Chemaxon):0.56

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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