UCSF

ZINC00394379

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2005 11 Yes

Popular Name: 3,5,5-Trimethylhexanoic acid 3,5,5-Trimethylhexanoic acid

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CAS Numbers: 10/1/3302 12:00:00 AM , 3302-10-01 , 3302-10-1 , 3302/10/1

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) 2.55 2.12 -45.94 0 2 -1 40 157.233 4 ↓

Vendor Notes

Note Type Comments Provided By
Melting_Point 70? Alfa-Aesar
Melting_Point 70° Alfa-Aesar
BP 120 / 13 TCI
Boiling_Point 230-232? Alfa-Aesar
Boiling_Point 230-232° Alfa-Aesar

Activity (Go SEA)

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