UCSF

ZINC00388112

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Substance Information

In ZINC since Heavy atoms Benign functionality
December 5th, 2005 12 Yes

Popular Name: 3-Phenylbutyric acid 3-Phenylbutyric acid

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CAS Numbers: 161610-09-9 , 4593-90-2 , 772-14-5 , 772-15-6

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) 0.63 6.08 -45.93 0 2 -1 40 163.196 3 ↓

Vendor Notes

Note Type Comments Provided By
Boiling_Point 159-161?/9mm Alfa-Aesar
Boiling_Point 159-161°/9mm Alfa-Aesar
Melting_Point 36-40? Alfa-Aesar
Melting_Point 36-40° Alfa-Aesar
MP 37 - 39 Enamine Building Blocks
MP 37...39 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks

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