UCSF

ZINC29753648

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Substance Information

In ZINC since Heavy atoms Benign functionality
March 18th, 2009 16 No

Popular Name: 4-[(dimethylamino)methylene]-2-phenyl-1,3-oxazol-5(4H)-one 4-[(dimethylamino)methylene]-2-p…

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CAS Numbers: 51254-00-3 , [51254-00-3]

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) 1.74 4.85 -11.23 0 4 0 46 216.24 2 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 166 - 169 KeyOrganics
MP 166-169° Matrix Scientific
Purity >95% Matrix Scientific
Warnings IRRITANT Matrix Scientific

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