UCSF

ZINC13371625

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Substance Information

In ZINC since Heavy atoms Benign functionality
June 17th, 2008 15 Yes

Popular Name: Methyl 1-oxo-1,2-dihydroisoquinoline-4-carboxylate Methyl 1-oxo-1,2-dihydroisoquino…

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CAS Numbers: 37497-84-0 , [37497-84-0]

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) 1.31 4.38 -9.29 1 4 0 59 203.197 2 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 259 - 261 KeyOrganics
MP 259-261° Matrix Scientific
Purity 97% Matrix Scientific
Purity >95% Matrix Scientific
Warnings IRRITANT Matrix Scientific

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