UCSF

ZINC01698306

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2004 13 Yes

Popular Name: 2-Hydroxyethyl 2-hydroxybenzoate 2-Hydroxyethyl 2-hydroxybenzoate

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CAS Numbers: 87-28-5 , [87-28-5]

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) 1.40 0.97 -10.64 2 4 0 67 182.175 4 ↓
Hi High (pH 8-9.5) 1.40 1.96 -52.91 1 4 -1 70 181.167 4 ↓

Vendor Notes

Note Type Comments Provided By
BP [°C] 172 (p=12 torr) Acros Organics
BP 172 / 12 TCI
Mp [°C] 25 Acros Organics
Purity 95% Fluorochem
H phrase H302: Harmful if swallowed Acros Organics
P phrase P301+ P312: IF SWALLOWED: Call a POISON CENTER or doctor/physician if you feel unwell Acros Organics
R phrase R22: Harmful if swallowed. Acros Organics
Hazard XN: Harmful Acros Organics

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