Chemical ID: 5028163

CCOC(=O)NC#CNC(=O)OCC
Chemical ID:
5028163
Name [?]:
ethyl 2-ethoxycarbonylaminoethynylaminoformate
SMILES [?]:
CCOC(=O)NC#CNC(=O)OCC
InChi [?]:
InChI=1/C8H12N2O4/c1-3-13-7(11)9-5-6-10-8(12)14-4-2/h3-4H2,1-2H3,(H,9,11)(H,10,12)
InChi Info:
AuxInfo=1/1/N:1,14,2,13,7,8,4,10,6,9,5,11,3,12/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)/gE:(1,2)/rA:14nCCOCONCCNCOOCC/rB:s1;s2;s3;d4;s4;s6;t7;s8;s9;d10;s10;s12;s13;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C8H12N2O4
All Atoms:14
Heavy Atoms:14
Chiral Atoms:0
ZAP Information [?]
Total:7.99765
Area:417.174
Solvation:-2.4317
Coulombic:-61.7502
Bond Count [?]
All:13
Single:10
Double:2
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:200.192
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:1.33
LogP (Chemaxon):0.81

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