UCSF

ZINC01672687

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2004 13 Yes

Popular Name: 5-Methylisophthalic acid 5-Methylisophthalic acid

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CAS Numbers: 3347-99-7 , 499-49-0

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) 2.14 0.69 -113.75 0 4 -2 80 178.143 2 ↓

Vendor Notes

Note Type Comments Provided By
Melting_Point 296-300? Alfa-Aesar
Melting_Point 296-300° Alfa-Aesar
MP 298 TCI
MP 299 - 303 Enamine Building Blocks
MP 299...303 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Purity 95+% Matrix Scientific
Purity 98% Fluorochem
Warnings IRRITANT Matrix Scientific

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