UCSF

ZINC00173697

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 12 Yes

Popular Name: 3-Carbethoxy-2-piperidone 3-Carbethoxy-2-piperidone

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CAS Numbers: 3731-16-6 , [3731-16-6]

Download: MOL2 SDF SMILES Flexibase

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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) 0.43 3.16 -9.82 1 4 0 55 171.196 3 ↓

Vendor Notes

Note Type Comments Provided By
MP 79 - 81 Enamine Building Blocks
MP 79...81 Enamine Building Blocks
MP 80 - 82 Enamine Building Blocks
MP 80-82° Oakwood Chemical
MP 82 TCI
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Purity 98% Fluorochem
Warnings IRRITANT Matrix Scientific

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