Chemical ID: 4687737

CCOC(=O)C(C)(C)n1cncn1
Chemical ID:
4687737
Name [?]:
ethyl 2-methyl-2-(1,2,4-triazol-1-yl)propanoate
SMILES [?]:
CCOC(=O)C(C)(C)n1cncn1
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C8H13N3O2
All Atoms:13
Heavy Atoms:13
Chiral Atoms:0
ZAP Information [?]
Total:6.30742
Area:356.369
Solvation:-2.60181
Coulombic:-29.1297
Bond Count [?]
All:13
Single:10
Double:3
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:183.208
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:0.5
LogP (Chemaxon):0.17

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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