UCSF

ZINC00243320

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 16 Yes

Popular Name: ethyl (2-oxo-1,3-benzoxazol-3(2H)-yl)acetate ethyl (2-oxo-1,3-benzoxazol-3(2H…

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CAS Number: 13610-51-0

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) 1.48 6.77 -14.42 0 5 0 61 221.212 4 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 70 - 72 KeyOrganics
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
PUBCHEM_PATENT_ID EP0350163A2 IBM Patent Data

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