UCSF

ZINC01578916

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2004 13 Yes

Popular Name: methyl 1-benzofuran-2-carboxylate methyl 1-benzofuran-2-carboxylate

Find On: PubMed — Wikipedia — Google

CAS Numbers: 1646-27-1 , 39581-61-8 , [1646-27-1]

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) 2.33 2.54 -7.09 0 3 0 39 176.171 2 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 51 - 53 KeyOrganics
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks

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