UCSF

ZINC00087959

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 11 No

Popular Name: Indole-3-carboxaldehyde Indole-3-carboxaldehyde

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CAS Numbers: 123154-24-5 , 487-89-8 , [487-89-8]

Download: MOL2 SDF SMILES Flexibase

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Vendors

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) 1.88 4.29 -7.55 1 2 0 33 145.161 1 ↓

Vendor Notes

Note Type Comments Provided By
Mp [°C] 193 - 199 Acros Organics
MP 193-198° Matrix Scientific
MP 195 TCI
MP 195 - 198 Enamine Building Blocks
Melting_Point 195-198? Alfa-Aesar
Melting_Point 195-198° Alfa-Aesar
MP 195...198 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 97% Matrix Scientific
Warnings IRRITANT, KEEP COLD, STORED UNDER ARGON Matrix Scientific
Warnings Irritant/Stored under Argon/Store in Freezer Matrix Scientific
S phrase S24/25: Avoid contact with skin and eyes. Acros Organics
PUBCHEM_PATENT_ID WO2000023444A1 IBM Patent Data

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

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