UCSF

ZINC05841345

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 17th, 2006 9 Yes

Popular Name: 4-Methyl-2-heptanol 4-Methyl-2-heptanol

Find On: PubMed — Wikipedia — Google

CAS Number: 56298-90-9

Other Names:

MFCD00060895

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) 2.50 -0.33 -1.68 1 1 0 20 130.231 4 ↓

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0110955A1; EP0110955B1 IBM Patent Data

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