UCSF

ZINC08618515

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
June 27th, 2007 8 No

Popular Name: 1H-pyrrole-2-carbaldehyde oxime 1H-pyrrole-2-carbaldehyde oxime

Find On: PubMed — Wikipedia — Google

CAS Numbers: 32597-34-5 , [32597-34-5]

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) 1.51 0.02 -5.25 2 3 0 48 110.116 1 ↓

Vendor Notes

Note Type Comments Provided By
Melting_Point 163-166? Alfa-Aesar
Melting_Point 163-166° Alfa-Aesar
melting_point 169 - 171 KeyOrganics
MP 169-171° Matrix Scientific
Purity >95% Matrix Scientific
Warnings IRRITANT Matrix Scientific

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

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