Compound Selection

Formula: C20H23NO4

MW: 341.41

CAS: 62669-75-4

MDL: MFCD00051333

TNP:

hydro-11-oxo-,1,1-dimethylethylester; COUMARIN 338; 2,3,6,7-TETRAHYDRO-11-OXO-1H,5H,11H-[1]BENZOPYRANO [6,7,8-IJ] QUINOLIZINE-10-CARBOXYLIC ACID,1,1-DIMETHYLETHYL ESTER; tert-butyl 2,3,6,7-tetrahydro-11-oxo-7h,5h,11h-[1]benzopyrano[6,7,8-ij]quinolizine-10-ca

LogP: 4.73

LogS: -4.5

Acceptors: 4

Donors: 0

Rotation Bonds: 2

Chiral Centers: 0

N+O: 5

LIPINSKY: 4

Info: Coumarin 338, laser grade 99%

IUPAC:

Smiles: c1(c(oc2c(c1)cc1c3N(CCCc23)CCC1)=O)C(OC(C)(C)C)=O

Specification: Coumarin 338 Chemical Properties:

mp 171 C EPA Substance Registry System1H,5H,11H-[1]Benzopyrano[ 6,7,8-ij]quinolizine-10-carboxylic acid, 2,3,6,7-tetrahydro-11-oxo-, 1,1-dimethylethyl ester(62669-75-4) Safety Information Hazard Codes Xn Risk Statements 36/37/38-20/21/22 Safety Statements 37/39-26 Coumarin 338 Usage And Synthesis Chemical Properties:

yellow to green-yellow crystalline powder Coumarin 338

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