UCSF

ZINC02015944

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 10th, 2004 12 Yes

Popular Name: 3-Hydroxypropane-1,2-diyl diacetate 3-Hydroxypropane-1,2-diyl diacetate

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CAS Numbers: 102-62-5 , 25395-31-7

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) -0.19 2.67 -10.2 1 5 0 73 176.168 6 ↓

Vendor Notes

Note Type Comments Provided By
Mp [°C] 30 Acros Organics
BP [°C] 280 Acros Organics
S phrase S24/25: Avoid contact with skin and eyes. Acros Organics

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Analogs ( Draw Identity 99% 90% 80% 70% )