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Chemical ID: 6151871
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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