UCSF

ZINC00151411

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2005 13 Yes

Popular Name: (3-Methoxyphenoxy)acetic acid (3-Methoxyphenoxy)acetic acid

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CAS Numbers: 2088-24-6 , [2088-24-6]

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) 1.27 4.63 -48.12 0 4 -1 59 181.167 4 ↓

Vendor Notes

Note Type Comments Provided By
M.P 116-117°C Indofine
Melting_Point 116-119? Alfa-Aesar
Melting_Point 116-119° Alfa-Aesar
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Warnings IRRITANT Matrix Scientific

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