Chemical ID: 6151871

CCOC(=CC(=O)OCC)[NH3+]
Chemical ID:
6151871
Name [?]:
(1-ethoxy-2-ethoxycarbonyl-vinyl)ammonium
SMILES [?]:
CCOC(=CC(=O)OCC)[NH3+]
InChi [?]:
InChI=1/C7H13NO3/c1-3-10-6(8)5-7(9)11-4-2/h5H,3-4,8H2,1-2H3/p+1
InChi Info:
AuxInfo=1/1/N:1,10,2,9,5,4,6,11,7,3,8/rA:11nCCOCCCOOCCN+/rB:s1;s2;s3;w4;s5;d6;s6;s8;s9;s4;/rC:;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C7H14NO3+
All Atoms:11
Heavy Atoms:11
Chiral Atoms:0
ZAP Information [?]
Total:-35.9476
Area:340.741
Solvation:-44.4661
Coulombic:25.7775
Bond Count [?]
All:10
Single:8
Double:2
Rotors:5
Chiral:1
Rigid Segments:4
Chemical Properties
Molecular Weight:160.191
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:1.04
LogP (Chemaxon):0.44

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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