UCSF

ZINC00410090

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 13 Yes

Popular Name: P-TOLYL ISOBUTYRATE P-TOLYL ISOBUTYRATE

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CAS Number: 103-93-5

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) 2.85 7.8 -6.52 0 2 0 26 178.231 3 ↓

Vendor Notes

Note Type Comments Provided By
BP 237 TCI
PUBCHEM_PATENT_ID EP0428276A3; EP0428276B1; EP0685455A1; EP0685455B1; EP0847692A1; US4156690; US5180586; US5565605; US5663480; US5800897; WO1997026926A1; WO1997034981A1 IBM Patent Data

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