UCSF

ZINC00155890

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2005 12 Yes

Popular Name: 1-Phenyl-1-cyclopropanecarboxylic acid 1-Phenyl-1-cyclopropanecarboxyli…

Find On: PubMed — Wikipedia — Google

CAS Numbers: 6021-95-2 , 6120-95-2 , [6120-95-2]

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) 1.60 6.1 -49.73 0 2 -1 40 161.18 2 ↓

Vendor Notes

Note Type Comments Provided By
Mp [°C] 84 - 87 Acros Organics
MP 85 - 87 Enamine Building Blocks
MP 85-86° Matrix Scientific
Melting_Point 85-89? Alfa-Aesar
Melting_Point 85-89° Alfa-Aesar
MP 85...87 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Warnings IRRITANT Matrix Scientific
S phrase S24/25: Avoid contact with skin and eyes. Acros Organics

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