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Chemical ID: 5165048
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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