UCSF

ZINC00155654

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2005 14 No

Popular Name: 3-Indoleacrylic acid 3-Indoleacrylic acid

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CAS Numbers: 1204-06-4 , 13615-46-8 , 29953-71-7 , [1204-06-4] , [29953-71-7]

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) 1.88 5.45 -55.53 1 3 -1 56 186.19 2 ↓

Vendor Notes

Note Type Comments Provided By
Purity 97% Fluorochem
Purity 98% Min APIChem
Melting_Point >300? Alfa-Aesar
Melting_Point >300° Alfa-Aesar
Melting_Point ca 185?dec. Alfa-Aesar
Melting_Point ca 185°dec. Alfa-Aesar
Warnings IRRITANT Matrix Scientific

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