UCSF

ZINC00157052

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 18 No

Popular Name: Ethyl 4,5-dimethoxy-2-nitrobenzoate Ethyl 4,5-dimethoxy-2-nitrobenzoate

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CAS Numbers: 100905-33-7 , [100905-33-7]

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) 2.20 3.16 -11.52 0 7 0 90 255.226 6 ↓

Vendor Notes

Note Type Comments Provided By
Melting_Point 100-102? Alfa-Aesar
Melting_Point 100-102° Alfa-Aesar

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