UCSF

ZINC02566140

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 13 No

Popular Name: 3-(2,4-dimethylphenyl)acrylic acid 3-(2,4-dimethylphenyl)acrylic acid

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CAS Numbers: 1685-80-9 , [1685-80-9]

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) 2.56 1.72 -50.63 0 2 -1 40 175.207 2 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 179 - 180 KeyOrganics
MP 179-180° Matrix Scientific
M.P 179-180°C Indofine
MP 182 - 184 Enamine Building Blocks
MP 182...184 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Warnings IRRITANT Matrix Scientific

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