UCSF

ZINC00391601

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 10 Yes

Popular Name: 4,5-Dimethylbenzene-1,3-diol 4,5-Dimethylbenzene-1,3-diol

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CAS Numbers: 527-55-9 , [527-55-9]

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) 2.20 -2.04 -5.34 2 2 0 40 138.166 0 ↓

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID WO1998007695A1 IBM Patent Data

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