UCSF

ZINC00978290

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 6th, 2004 15 Yes

Popular Name: 3-METHYLBENZOFURAN-2-CARBOXYLIC ACID ETHYL ESTER 3-METHYLBENZOFURAN-2-CARBOXYLIC …

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CAS Numbers: , 22367-82-4 , [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) 3.09 2.76 -7.26 0 3 0 39 204.225 3 ↓

Vendor Notes

Note Type Comments Provided By
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks

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