UCSF

ZINC01235187

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 13th, 2004 16 No

Popular Name: 9-Anthraldehyde 9-Anthraldehyde

Find On: PubMed — Wikipedia — Google

CAS Numbers: 642-31-9 , [642-31-9]

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) 4.02 1.76 -9.06 0 1 0 17 206.244 1 ↓

Vendor Notes

Note Type Comments Provided By
Melting_Point 102-106? Alfa-Aesar
Melting_Point 102-106° Alfa-Aesar
MP 103 - 105 Enamine Building Blocks
Mp [°C] 103 - 107 Acros Organics
MP 103...105 Enamine Building Blocks
MP 104 - 105 Enamine Building Blocks
MP 107 TCI
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
S phrase S24/25: Avoid contact with skin and eyes. Acros Organics

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