UCSF

ZINC01712905

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2004 15 Yes

Popular Name: 6-oxo-6-phenylhexanoic acid 6-oxo-6-phenylhexanoic acid

Find On: PubMed — Wikipedia — Google

CAS Numbers: 4144-62-1 , [4144-62-1]

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) 2.26 1.42 -49.24 0 3 -1 57 205.233 6 ↓

Vendor Notes

Note Type Comments Provided By
Melting_Point 75-79? Alfa-Aesar
Melting_Point 75-79° Alfa-Aesar
MP 76 - 80 Enamine Building Blocks
MP 77 TCI
MP 77 - 79 Enamine Building Blocks
MP 77...79 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks

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