Chemical ID: 7099980

c1ccc(cc1)c2cc(c(=O)[nH]c2)C=O
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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