UCSF

ZINC98214900

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2014 11 Yes

CAS Number: 80-15-9

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 3.19 3.1 -4.81 1 2 0 29 152.193 2

Vendor Notes

Note Type Comments Provided By
Melting_Point 30? Alfa-Aesar
Melting_Point 30° Alfa-Aesar
Boiling_Point 100-102?/8mm Alfa-Aesar
Boiling_Point 100-102°/8mm Alfa-Aesar

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

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