UCSF

ZINC00404223

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 11 Yes

Popular Name: 2-Phenyl-1,3-propanediol 2-Phenyl-1,3-propanediol

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CAS Numbers: 1570-95-2 , 25451-53-0 , [1570-95-2]

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) 1.12 -0.24 -8.17 2 2 0 40 152.193 3 ↓

Vendor Notes

Note Type Comments Provided By
MP 52 TCI
MP 53 - 56 Enamine Building Blocks
Melting_Point 53-56? Alfa-Aesar
MP 53-56° Oakwood Chemical
MP 53...56 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 97% Fluorochem

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