Chemical ID: 5165048

Cc1cccc(n1)COC(=O)C
Chemical ID:
5165048
Name [?]:
(6-methyl-2-pyridyl)methyl acetate
SMILES [?]:
Cc1cccc(n1)COC(=O)C
InChi [?]:
InChI=1/C9H11NO2/c1-7-4-3-5-9(10-7)6-12-8(2)11/h3-5H,6H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,12,4,3,5,8,2,10,6,7,11,9/rA:12nCCCCCCNCOCOC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s9;d10;s10;/rC:;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H11NO2
All Atoms:12
Heavy Atoms:12
Chiral Atoms:0
ZAP Information [?]
Total:6.60534
Area:344.953
Solvation:-2.01848
Coulombic:-22.8363
Bond Count [?]
All:12
Single:8
Double:4
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:165.189
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:1.1
LogP (Chemaxon):0.65

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Experimental Annotations

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Descriptor Annotations

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