UCSF

ZINC03029483

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 6th, 2004 19 No

Popular Name: diethyl 2-[(4-methylphenyl)methylene]malonate diethyl 2-[(4-methylphenyl)methy…

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CAS Numbers: 14111-33-2 , [14111-33-2]

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) 3.53 4.18 -7.02 0 4 0 52 262.305 7 ↓

Vendor Notes

Note Type Comments Provided By
Purity >95% Matrix Scientific
Warnings IRRITANT Matrix Scientific

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