Chemical ID: 6048407

COC(=O)Cc1cccnn1
Chemical ID:
6048407
Name [?]:
methyl 2-pyridazin-3-ylacetate
SMILES [?]:
COC(=O)Cc1cccnn1
InChi [?]:
InChI=1/C7H8N2O2/c1-11-7(10)5-6-3-2-4-8-9-6/h2-4H,5H2,1H3
InChi Info:
AuxInfo=1/0/N:1,8,7,9,5,6,3,10,11,4,2/rA:11nCOCOCCCCCNN/rB:s1;s2;d3;s3;s5;s6;d7;s8;d9;d6s10;/rC:;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C7H8N2O2
All Atoms:11
Heavy Atoms:11
Chiral Atoms:0
ZAP Information [?]
Total:4.33078
Area:313.665
Solvation:-3.51085
Coulombic:-18.4757
Bond Count [?]
All:11
Single:7
Double:4
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:152.151
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:-0.22
LogP (Chemaxon):-0.53

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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