UCSF

ZINC00153775

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 15 No

Popular Name: Methyl 3-formylindole-6-carboxylate Methyl 3-formylindole-6-carboxylate

Find On: PubMed — Wikipedia — Google

CAS Numbers: 133831-28-4 , 387350-58-5 , [133831-28-4]

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) 2.03 1.68 -10.3 1 4 0 59 203.197 3 ↓

Vendor Notes

Note Type Comments Provided By
Mp [°C] 219 - 224 Acros Organics
MP 220-224° Matrix Scientific
Purity 95% Fluorochem
Warnings Irritant Matrix Scientific
S phrase S24/25: Avoid contact with skin and eyes. Acros Organics

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