UCSF

ZINC00156137

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 15 No

Popular Name: 4-Hydroxymethyl-4-methyl-1-phenyl-3-pyrazolidone 4-Hydroxymethyl-4-methyl-1-pheny…

Find On: PubMed — Wikipedia — Google

CAS Numbers: 13047-13-7 , [13047-13-7]

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) 0.96 1.58 -10.79 2 4 0 53 206.245 2 ↓

Vendor Notes

Note Type Comments Provided By
Melting_Point 124-126? Alfa-Aesar
Melting_Point 124-126° Alfa-Aesar
PUBCHEM_PATENT_ID EP0767404B1; EP0786694A1; EP0786694B1; EP0877287A1; EP0921432A1; US5888710; US5972573; US5998112 IBM Patent Data

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