UCSF

ZINC00327634

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2005 16 Yes

Popular Name: 4-(2-Methoxy-5-methyl-phenyl)-4-oxo-butyric acid 4-(2-Methoxy-5-methyl-phenyl)-4-…

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CAS Numbers: 55007-22-2 , [55007-22-2]

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) 1.68 6.76 -51.59 0 4 -1 66 221.232 5 ↓

Vendor Notes

Note Type Comments Provided By
MP 106 - 108 Enamine Building Blocks
MP 106...108 Enamine Building Blocks
MP 115-117° Matrix Scientific
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% )