UCSF

ZINC00347877

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2005 17 Yes

Popular Name: 3-methoxy-4-(3-methylbutoxy)benzoic acid 3-methoxy-4-(3-methylbutoxy)benz…

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CAS Numbers: , 303059-32-7 , [303059-32-7]

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) 3.15 1.66 -48.76 0 4 -1 58 237.275 6 ↓

Vendor Notes

Note Type Comments Provided By
purity 9.500000000000000e+001 Enamine Building Blocks
MP 92 - 94 Enamine Building Blocks
MP 92...94 Enamine Building Blocks
purity 95 Enamine Building Blocks
Warnings IRRITANT Matrix Scientific

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