UCSF

ZINC00388437

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 9 No

Popular Name: 1,2,4-Benzenetriol 1,2,4-Benzenetriol

Find On: PubMed — Wikipedia — Google

CAS Numbers: 339319-34-5 , 361394-74-3 , 533-73-3 , [533-73-3]

Download: MOL2 SDF SMILES Flexibase

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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) 0.49 -3.31 -7.18 3 3 0 61 126.111 0 ↓

Vendor Notes

Note Type Comments Provided By
MP 140 TCI
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Purity 98% APIChem
Melting_Point ca 140? subl. Alfa-Aesar
Melting_Point ca 140° subl. Alfa-Aesar
UniProt Database Links CHQB_NOCSI; HQD2_CANAL; NPCA_RHOOP; NPCC_RHOOP ChEBI
Patent Database Links EP1760072; GB2211517; US2003192132; US2004016063; US2004147515; US2004200010; US2005005370; US2006270608; US2007191330 ChEBI
PUBCHEM_PATENT_ID WO1998020350A1 IBM Patent Data

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