Chemical ID: 4785346

Cc1c(c(no1)C(=O)OC)c2cc[nH]n2
Chemical ID:
4785346
Name [?]:
methyl 5-methyl-4-(1H-pyrazol-3-yl)isoxazole-3-carboxylate
SMILES [?]:
Cc1c(c(no1)C(=O)OC)c2cc[nH]n2
InChi [?]:
InChI=1/C9H9N3O3/c1-5-7(6-3-4-10-11-6)8(12-15-5)9(13)14-2/h3-4H,1-2H3,(H,10,11)
InChi Info:
AuxInfo=1/1/N:1,10,12,13,2,11,3,4,7,14,15,5,8,9,6/rA:15nCCCCNOCOOCCCCNN/rB:s1;d2;s3;d4;s2s5;s4;d7;s7;s9;s3;s11;d12;s13;d11s14;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H9N3O3
All Atoms:15
Heavy Atoms:15
Chiral Atoms:0
ZAP Information [?]
Total:5.55072
Area:372.001
Solvation:-3.74931
Coulombic:-31.3248
Bond Count [?]
All:16
Single:11
Double:5
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:207.186
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:1.38
LogP (Chemaxon):0.92

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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