UCSF

ZINC12956552

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 23rd, 2008 13 No

Popular Name: 3-(4-FORMYLPHENYL)PROPANOIC ACID 3-(4-FORMYLPHENYL)PROPANOIC ACID

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CAS Numbers: 34961-64-3 , [34961-64-3]

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) 1.67 5.46 -48.89 0 3 -1 57 177.179 4 ↓

Vendor Notes

Note Type Comments Provided By
Melting_Point ca 136? dec Alfa-Aesar
Melting_Point ca 136° dec Alfa-Aesar

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