UCSF

ZINC02015539

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 10th, 2004 7 No

Popular Name: 2-Methylpentanal 2-Methylpentanal

Find On: PubMed — Wikipedia — Google

CAS Numbers: 123-15-9 , [123-15-9]

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) 2.32 2.1 -4.66 0 1 0 17 100.161 3 ↓

Vendor Notes

Note Type Comments Provided By
Melting_Point 100? Alfa-Aesar
Melting_Point 100° Alfa-Aesar
Boiling_Point 119-120? Alfa-Aesar
Boiling_Point 119-120° Alfa-Aesar

Activity (Go SEA)

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