Chemical ID: 5003777

CCOC(=O)c1c[nH][nH]c1=O
Chemical ID:
5003777
Name [?]:
ethyl 3-oxo-1,2-dihydropyrazole-4-carboxylate
SMILES [?]:
CCOC(=O)c1c[nH][nH]c1=O
InChi [?]:
InChI=1/C6H8N2O3/c1-2-11-6(10)4-3-7-8-5(4)9/h3H,2H2,1H3,(H2,7,8,9)
InChi Info:
AuxInfo=1/1/N:1,2,7,6,10,4,8,9,11,5,3/rA:11nCCOCOCCNNCO/rB:s1;s2;s3;d4;s4;d6;s7;s8;s6s9;d10;/rC:;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C6H8N2O3
All Atoms:11
Heavy Atoms:11
Chiral Atoms:0
ZAP Information [?]
Total:5.22193
Area:316.703
Solvation:-2.69563
Coulombic:-45.0779
Bond Count [?]
All:11
Single:8
Double:3
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:156.139
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:0.27
LogP (Chemaxon):-0.7

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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