UCSF

ZINC02890740

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 4th, 2004 17 Yes

Popular Name: 4-Butoxy-3-ethoxybenzoic acid 4-Butoxy-3-ethoxybenzoic acid

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CAS Number: 101268-36-4

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) 3.31 1.36 -49.06 0 4 -1 58 237.275 7 ↓

Vendor Notes

Note Type Comments Provided By
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Warnings IRRITANT Matrix Scientific

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