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Oprea1_416794,A2855/0120412, 1-(2-chlorophenyl)-4,6-dimethyl-2-oxopyri

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摘 要:Oprea1_416794,A2855/0120412, 1-(2-chlorophenyl)-4,6-dimethyl-2-oxopyridine-3-carboxylic acid,Canonical SMILES: CC1=CC(=C(C(=O)N1C2=CC=CC=C2Cl)C(=O)O)C,InChI: InChI=1/C14H12ClNO3/c1-8-7-9(2)16(13(17)12(8)14(18)19)11-6-4-3-5-10(11),15/h3-7H,1-2H3,(H,18
[Synonyms]
Oprea1_416794
A2855/0120412

[Structure]
Oprea1_416794,A2855/0120412, 1-(2-chlorophenyl)-4,6-dimethyl-2-oxopyri

[ Properties Computed from Structure]
Molecular Weight277.70298 [g/mol]
Molecular FormulaC14H12ClNO3
XLogP2.8
H-Bond Donor1
H-Bond Acceptor3
Rotatable Bond Count2
Exact Mass277.050571
MonoIsotopic Mass277.050571
Topological Polar Surface Area57.6
Heavy Atom Count19
Formal Charge0
Complexity481
Isotope Atom Count0
Defined Atom StereoCenter Count0
Undefined Atom StereoCenter Count0
Defined Bond StereoCenter Count0
Undefined Bond StereoCenter Count0
Covalently-Bonded Unit Count1

[ Descriptors Computed from Structure]
IUPAC Name: 1-(2-chlorophenyl)-4,6-dimethyl-2-oxopyridine-3-carboxylic acid
Canonical SMILES: CC1=CC(=C(C(=O)N1C2=CC=CC=C2Cl)C(=O)O)C
InChI: InChI=1/C14H12ClNO3/c1-8-7-9(2)16(13(17)12(8)14(18)19)11-6-4-3-5-10(11)
15/h3-7H,1-2H3,(H,18,19)/f/h18H

 
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