UCSF

ZINC00388044

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2005 13 No

Popular Name: 3,4-Dihydroxyhydrocinnamic acid 3,4-Dihydroxyhydrocinnamic acid

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CAS Number: 1078-61-1

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) 0.91 0.8 -48.42 2 4 -1 81 181.167 3 ↓

Vendor Notes

Note Type Comments Provided By
Melting_Point 136-140? Alfa-Aesar
Melting_Point 136-140° Alfa-Aesar
Patent Database Links US2003199566; US2004171682; US2006205813; US2008171004 ChEBI

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