UCSF

ZINC02582762

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2005 13 No

Popular Name: 2-cyano-3-(3-pyridinyl)acrylic acid 2-cyano-3-(3-pyridinyl)acrylic acid

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CAS Numbers: 103029-74-9 , [103029-74-9]

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) 0.22 3.69 -45.68 0 4 -1 77 173.151 2 ↓
Lo Low (pH 4.5-6) 0.22 3.97 -66.09 1 4 0 78 174.159 2 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 195 KeyOrganics
MP 195° Matrix Scientific
Purity >95% Matrix Scientific
Warnings IRRITANT Matrix Scientific

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

No pre-computed analogs available. Try a structural similarity search.