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Chemical ID: 7099980
Chemical ID:
7099980
Name [?]:
2-oxo-5-phenyl-1H-pyridine-3-carbaldehyde
SMILES [?]:
c1ccc(cc1)c2cc(c(=O)[nH]c2)C=O
InChi [?]:
InChI=1/C12H9NO2/c14-8-11-6-10(7-13-12(11)15)9-4-2-1-3-5-9/h1-8H,(H,13,15)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,8,13,14,4,7,9,10,12,15,11/E:(2,3)(4,5)/rA:15nCCCCCCCCCCONCCO/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s9;d10;s10;d7s12;s9;d14;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H9NO2 |
All Atoms: | 24 |
Heavy Atoms: | 15 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 5.31842 |
Area: | 371.221 |
Solvation: | -3.96211 |
Coulombic: | -27.6394 |
Bond Count [?]
All: | 16 |
Single: | 9 |
Double: | 7 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 199.205 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 1.36 |
LogP (Chemaxon): | 1.9 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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