Chemical ID: 3965240

CC(=O)OCC[N+](C)(C)C
Chemical ID:
3965240
Name [?]:
2-acetoxyethyl-trimethyl-ammonium
SMILES [?]:
CC(=O)OCC[N+](C)(C)C
InChi [?]:
InChI=1/C7H16NO2/c1-7(9)10-6-5-8(2,3)4/h5-6H2,1-4H3/q+1
InChi Info:
AuxInfo=1/0/N:1,8,9,10,6,5,2,7,3,4/E:(2,3,4)/CRV:8+1/rA:10nCCOOCCN+CCC/rB:s1;d2;s2;s4;s5;s6;s7;s7;s7;/rC:;;;;;;;;;;

Chemical Details

Atom Count
Formula:C7H16NO2+
All Atoms:10
Heavy Atoms:10
Chiral Atoms:0
ZAP Information [?]
Total:-21.9196
Area:313.808
Solvation:-29.7648
Coulombic:7.40719
Bond Count [?]
All:9
Single:8
Double:1
Rotors:4
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:146.207
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:-1.18
LogP (Chemaxon):-4.73

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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