UCSF

ZINC04072878

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 4th, 2005 19 No

Popular Name: dimethyl 2-methyl-2-(2-nitrophenyl)malonate dimethyl 2-methyl-2-(2-nitrophen…

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CAS Number: 860786-10-3

Other Names:

MFCD03617786

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) 2.17 7.63 -12.57 0 7 0 98 267.237 6 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 73 - 75 KeyOrganics

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