UCSF

ZINC03884541

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2005 13 Yes

Popular Name: 3-(hydroxymethyl)-2(1H)-quinolinone 3-(hydroxymethyl)-2(1H)-quinolinone

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CAS Numbers: 90097-45-3 , [90097-45-3]

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.43 1.05 -8.93 2 3 0 53 175.187 1 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 200 KeyOrganics
MP 200° Matrix Scientific
MP 239 - 241 Enamine Building Blocks
MP 239...241 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity >95% Matrix Scientific
Warnings IRRITANT Matrix Scientific

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Analogs ( Draw Identity 99% 90% 80% 70% )