UCSF

ZINC02508058

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 10 Yes

Popular Name: 1-(3-Methylphenyl)ethanol 1-(3-Methylphenyl)ethanol

Find On: PubMed — Wikipedia — Google

CAS Numbers: 1875-89-4 , 25675-28-9 , 42070-91-7 , 454-91-1 , 7287-81-2

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) 1.93 3.31 -4.09 1 1 0 20 136.194 1 ↓

Vendor Notes

Note Type Comments Provided By
Boiling_Point 100-102?/17mm Alfa-Aesar
Boiling_Point 100-102°/17mm Alfa-Aesar
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks

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

No pre-computed analogs available. Try a structural similarity search.