UCSF

ZINC01846665

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 9th, 2004 14 Yes

Popular Name: methyl 3-methyl-1-benzofuran-2-carboxylate methyl 3-methyl-1-benzofuran-2-c…

Find On: PubMed — Wikipedia — Google

CAS Numbers: 2076-36-0 , 22367-82-4 , [2076-36-0] , [22367-82-4]

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) 2.71 2.79 -7.41 0 3 0 39 190.198 2 ↓

Vendor Notes

Note Type Comments Provided By
MP 70 - 72 Enamine Building Blocks
MP 70...72 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 97% Matrix Scientific
Purity >97% Matrix Scientific
Warnings IRRITANT Matrix Scientific

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