UCSF

ZINC00158958

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 13 No

Popular Name: 3-(1H-pyrrol-1-yl)benzaldehyde 3-(1H-pyrrol-1-yl)benzaldehyde

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CAS Numbers: 129747-77-9 , 857283-89-7 , [129747-77-9]

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) 2.17 2.79 -9.96 0 2 0 22 171.199 2 ↓

Vendor Notes

Note Type Comments Provided By
Mp [°C] 54 - 57 Acros Organics
Purity 95% Fluorochem
S phrase S24/25: Avoid contact with skin and eyes. Acros Organics

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

No pre-computed analogs available. Try a structural similarity search.