4-OXO-1,4-DIHYDROBE...

4-OXO-1,4-DIHYDROBENZO[H]QUINOLINE-3-CARBOXYLIC ACID 51726-83-1

4-OXO-1,4-DIHYDROBENZO[H]QUINOLINE-3-CARBOXYLIC ACID 51726-83-1

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1 Gram

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  • Min.Order :1 Gram
  • Purity: 99%
  • Payment Terms : L/C,T/T,

Keywords

4-oxo-1,4-dihydrobenzo[h]quinoline-3-carboxylic acid 51726-83-1 98%

Quick Details

  • Appearance:Solid
  • Application:Organic Chemicals
  • PackAge:as requested
  • ProductionCapacity:1|Metric Ton|Month
  • Storage:room temperature
  • Transportation:as requested

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Details:

Identification and Related Records
【Name】
4-oxo-1,4-dihydrobenzo[h]quinoline-3-carboxylic acid
【CAS Registry number】
51726-83-1
【Synonyms】
OTAVA-BB BB0107830116
SALOR-INT L149209-1EA
AURORA 17737
CHEMBRDG-BB 5871514
4-OXO-1,4-DIHYDROBENZO[H]QUINOLINE-3-CARBOXYLIC ACID
NSC 210902
OTAVA-BB 0107830116
【Molecular Formula】
C14H9NO3 (Products with the same molecular formula)
【Molecular Weight】
239.23
【Inchi】
InChI=1S/C14H9NO3/c16-13-10-6-5-8-3-1-2-4-9(8)12(10)15-7-11(13)14(17)18/h1-7H,(H,15,16)(H,17,18)
【Canonical SMILES】
C1=CC=C2C(=C1)C=CC3=C2NC=C(C3=O)C(=O)O
【MOL File】
51726-83-1.mol
Chemical and Physical Properties
【Computed Properties】
Molecular Weight:239.22616 [g/mol]
Molecular Formula:C14H9NO3
XLogP3-AA:3.1
H-Bond Donor:2
H-Bond Acceptor:4
Rotatable Bond Count:1
Tautomer Count:4
Exact Mass:239.058243
MonoIsotopic Mass:239.058243
Topological Polar Surface Area:66.4
Heavy Atom Count:18
Formal Charge:0
Complexity:415
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:3
Feature 3D Donor Count:1
Feature 3D Anion Count:2
Feature 3D Cation Count:1
Feature 3D Ring Count:3
Effective Rotor Count:1
Conformer Sampling RMSD:0.6
CID Conformer Count:1

 

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