UCSF

ZINC02531004

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 15 Yes

Popular Name: 3-(3,5-dimethoxyphenyl)-3-oxopropanenitrile 3-(3,5-dimethoxyphenyl)-3-oxopro…

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CAS Numbers: 70988-04-4 , [70988-04-4]

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) 0.96 4.04 -15.51 0 4 0 59 205.213 4 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 1.210000000000000e+002 - 1.230000000000000e+002 KeyOrganics
melting_point 121 - 123 KeyOrganics
MP 121-123° Matrix Scientific
Purity >95% Matrix Scientific
Warnings IRRITANT Matrix Scientific

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