Chemical ID: 7193604

CCn1c(ccn1)C=O
Chemical ID:
7193604
Name [?]:
2-ethylpyrazole-3-carbaldehyde
SMILES [?]:
CCn1c(ccn1)C=O
InChi [?]:
InChI=1/C6H8N2O/c1-2-8-6(5-9)3-4-7-8/h3-5H,2H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,5,6,8,4,7,3,9/rA:9nCCNCCCNCO/rB:s1;s2;s3;d4;s5;s3d6;s4;d8;/rC:;;;;;;;;;

Chemical Details

Atom Count
Formula:C6H8N2O
All Atoms:17
Heavy Atoms:9
Chiral Atoms:0
ZAP Information [?]
Total:4.41845
Area:281.83
Solvation:-2.62731
Coulombic:-10.514
Bond Count [?]
All:9
Single:6
Double:3
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:124.141
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:0.73
LogP (Chemaxon):0.1

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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