UCSF

ZINC37593646

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 27th, 2009 13 Yes

Popular Name: methyl 1H-pyrrolo[2,3-b]pyridine-3-carboxylate methyl 1H-pyrrolo[2,3-b]pyridine…

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CAS Numbers: 808137-94-2 , [808137-94-2]

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) 1.02 4.41 -11.26 1 4 0 55 176.175 2 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 205 - 206 KeyOrganics
MP 205-206° Matrix Scientific
MP 208 - 210 Enamine Building Blocks
MP 208...210 Enamine Building Blocks
Melting_Point 57-59? Alfa-Aesar
Melting_Point 57-59° Alfa-Aesar
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Matrix Scientific
Purity 97% Matrix Scientific
Warnings IRRITANT Matrix Scientific

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