UCSF

ZINC00169901

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 22 Yes

Popular Name: methyl 6-methyl-3-[(4-methylbenzoyl)amino]-2-oxo-2H-pyran-5-carboxylate methyl 6-methyl-3-[(4-methylbenz…

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CAS Numbers: 339009-31-3 , N/A

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) 1.96 8.18 -16.47 1 6 0 86 301.298 4 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 181 - 183 KeyOrganics
MP 181-183° Matrix Scientific
Purity >95% Matrix Scientific
Warnings IRRITANT Matrix Scientific

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