UCSF

ZINC01633876

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2004 12 Yes

Popular Name: 3-(4-methoxyphenyl)-2-propen-1-ol 3-(4-methoxyphenyl)-2-propen-1-ol

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CAS Numbers: 17581-85-0 , [17581-85-0]

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) 2.09 -0.91 -5.77 1 2 0 29 164.204 3 ↓

Vendor Notes

Note Type Comments Provided By
BP 315° Matrix Scientific
melting_point 76 - 78 KeyOrganics
MP 76-78° Matrix Scientific
Purity >95% Matrix Scientific
Warnings IRRITANT Matrix Scientific

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