UCSF

ZINC00129056

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2005 12 Yes

Popular Name: 3-(4-chlorophenyl)propanoic acid 3-(4-chlorophenyl)propanoic acid

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CAS Numbers: 2019-34-3 , 284493-65-8

Download: MOL2 SDF SMILES Flexibase

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Vendors

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) 2.56 0.97 -43.75 0 2 -1 40 183.614 3 ↓

Vendor Notes

Note Type Comments Provided By
MP 123-125° Fluorochem
Melting_Point 118-120? Alfa-Aesar
Melting_Point 118-120° Alfa-Aesar
MP 120 - 122 Enamine Building Blocks
MP 120...122 Enamine Building Blocks
MP 123-125° Matrix Scientific
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 98% Matrix Scientific
Warnings IRRITANT Matrix Scientific

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