UCSF

ZINC00215825

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 16 No

Popular Name: ethyl 3-formyl-1H-indole-2-carboxylate ethyl 3-formyl-1H-indole-2-carbo…

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CAS Numbers: 18450-27-6 , [18450-27-6]

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) 2.33 1.76 -11.03 1 4 0 59 217.224 4 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 1.860000000000000e+002 - 1.880000000000000e+002 KeyOrganics
melting_point 186 - 188 KeyOrganics
MP 186-188° Matrix Scientific
Purity 95% Fluorochem
Purity >95% Matrix Scientific
Warnings IRRITANT Matrix Scientific

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