UCSF

ZINC00165736

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 10 Yes

Popular Name: ethyl 1H-pyrrole-2-carboxylate ethyl 1H-pyrrole-2-carboxylate

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CAS Numbers: 2199-43-1 , [2199-43-1]

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) 1.30 3.83 -7.34 1 3 0 42 139.154 3 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 36 - 38 KeyOrganics
MP 36-38° Matrix Scientific
Melting_Point 37-39? Alfa-Aesar
Melting_Point 37-39° Alfa-Aesar
Boiling_Point 70?/0.8mm Alfa-Aesar
Boiling_Point 70°/0.8mm Alfa-Aesar
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 97% Matrix Scientific
Purity 98% Fluorochem
Purity >95% Matrix Scientific
Warnings IRRITANT Matrix Scientific

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