UCSF

ZINC02571464

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 10 Yes

Popular Name: 2,2-Dimethylhexanoic acid 2,2-Dimethylhexanoic acid

Find On: PubMed — Wikipedia — Google

CAS Numbers: 813-72-9 , 97-87-0

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) 2.66 1.9 -47.21 0 2 -1 40 143.206 4 ↓

Vendor Notes

Note Type Comments Provided By
BP 122 / 18 TCI
Boiling_Point 216-220? Alfa-Aesar
Boiling_Point 216-220° Alfa-Aesar
Purity 98% Fluorochem
PUBCHEM_PATENT_ID US5158967 IBM Patent Data

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