UCSF

ZINC06379009

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
March 25th, 2006 11 No

Popular Name: dimethyl 2-(hydroxyimino)malonate dimethyl 2-(hydroxyimino)malonate

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CAS Numbers: 1164457-90-2 , 42937-74-6 , 500364-41-0 , [42937-74-6]

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) -0.34 1.1 -10.03 1 6 0 85 161.113 4 ↓
Mid Mid (pH 6-8) -0.34 2.36 -39.8 0 6 -1 88 160.105 4 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 70 - 72 KeyOrganics
MP 70-72° 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.