Chemical ID: 4259488

CC(=O)OCC=Cc1cccnc1
Chemical ID:
4259488
Name [?]:
3-(3-pyridyl)prop-2-enyl acetate
SMILES [?]:
CC(=O)OCC=Cc1cccnc1
InChi [?]:
InChI=1/C10H11NO2/c1-9(12)13-7-3-5-10-4-2-6-11-8-10/h2-6,8H,7H2,1H3
InChi Info:
AuxInfo=1/0/N:1,10,6,9,7,11,5,13,2,8,12,3,4/rA:13nCCOOCCCCCCCNC/rB:s1;d2;s2;s4;s5;w6;s7;s8;d9;s10;d11;d8s12;/rC:;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H11NO2
All Atoms:13
Heavy Atoms:13
Chiral Atoms:0
ZAP Information [?]
Total:6.50047
Area:361.553
Solvation:-2.53835
Coulombic:-22.9862
Bond Count [?]
All:13
Single:8
Double:5
Rotors:4
Chiral:1
Rigid Segments:4
Chemical Properties
Molecular Weight:177.2
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:1.3
LogP (Chemaxon):0.86

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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