UCSF

ZINC22011886

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Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2008 21 Yes

Popular Name: methyl 2-hydroxy-3-methoxy-3,3-diphenylpropanoate methyl 2-hydroxy-3-methoxy-3,3-d…

Find On: PubMed — Wikipedia — Google

CAS Numbers: 177036-78-1 , 178306-47-3 , [178306-47-3]

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) 2.14 6.49 -9.9 1 4 0 56 286.327 6 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 9.800000000000000e+001 - 1.000000000000000e+002 KeyOrganics
Purity 95% Fluorochem
melting_point 98 - 100 KeyOrganics
MP 98-100° Matrix Scientific
Purity >95% Matrix Scientific
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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