UCSF

ZINC02801493

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 3rd, 2004 12 Yes

Popular Name: 3-ethoxy-4-hydroxybenzonitrile 3-ethoxy-4-hydroxybenzonitrile

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CAS Number: 60758-79-4

Other Names:

MFCD01123034

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) 1.41 2.97 -6.74 1 3 0 53 163.176 2 ↓

Vendor Notes

Note Type Comments Provided By
MP 75 - 77 Enamine Building Blocks
MP 75...77 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks

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