UCSF

ZINC06091872

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Substance Information

In ZINC since Heavy atoms Benign functionality
March 5th, 2006 14 No

Popular Name: (3,4-Dinitrophenyl)methanol (3,4-Dinitrophenyl)methanol

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CAS Numbers: 79544-31-3 , [79544-31-3]

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) 1.12 3.66 -15.63 1 7 0 112 198.134 3 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 57 - 59 KeyOrganics
Warnings IRRITANT Matrix Scientific

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