UCSF

ZINC01714722

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2004 13 Yes

Popular Name: 1-Phenylcyclobutanecarboxylic acid 1-Phenylcyclobutanecarboxylic acid

Find On: PubMed — Wikipedia — Google

CAS Numbers: 37828-19-6 , [37828-19-6]

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) 1.90 6.59 -49.98 0 2 -1 40 175.207 2 ↓

Vendor Notes

Note Type Comments Provided By
Melting_Point 100-102? Alfa-Aesar
Melting_Point 100-102° Alfa-Aesar
MP 105 - 107 Enamine Building Blocks
MP 105...107 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 97% Fluorochem

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