UCSF

ZINC06594619

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 9th, 2006 18 No

Popular Name: ethyl (E)-4-(2-nitrophenoxy)-2-butenoate ethyl (E)-4-(2-nitrophenoxy)-2-b…

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CAS Number: 274676-19-6

Other Names:

MFCD03787358

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) 2.66 8.51 -16.74 0 6 0 81 251.238 7 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 65 - 68 KeyOrganics

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