Chemical ID: 4964809

CC(=O)OCCc1ccccn1
Chemical ID:
4964809
Name [?]:
2-(2-pyridyl)ethyl acetate
SMILES [?]:
CC(=O)OCCc1ccccn1
InChi [?]:
InChI=1/C9H11NO2/c1-8(11)12-7-5-9-4-2-3-6-10-9/h2-4,6H,5,7H2,1H3
InChi Info:
AuxInfo=1/0/N:1,9,10,8,6,11,5,2,7,12,3,4/rA:12nCCOOCCCCCCCN/rB:s1;d2;s2;s4;s5;s6;s7;d8;s9;d10;d7s11;/rC:;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H11NO2
All Atoms:12
Heavy Atoms:12
Chiral Atoms:0
ZAP Information [?]
Total:6.44067
Area:351.32
Solvation:-2.34232
Coulombic:-22.151
Bond Count [?]
All:12
Single:8
Double:4
Rotors:4
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:165.189
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:0.95
LogP (Chemaxon):0.66

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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