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Chemical ID: 6684317
Chemical ID:
6684317
Name [?]:
ethyl 2-methylpyridine-3-carboxylate
SMILES [?]:
CCOC(=O)c1cccnc1C
InChi [?]:
InChI=1/C9H11NO2/c1-3-12-9(11)8-5-4-6-10-7(8)2/h4-6H,3H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,12,2,8,7,9,11,6,4,10,5,3/rA:12nCCOCOCCCCNCC/rB:s1;s2;s3;d4;s4;s6;d7;s8;d9;d6s10;s11;/rC:;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C9H11NO2 |
All Atoms: | 12 |
Heavy Atoms: | 12 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.71229 |
Area: | 335.111 |
Solvation: | -1.66547 |
Coulombic: | -24.5316 |
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: | 1.44 |
LogP (Chemaxon): | 0.8 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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