UCSF

ZINC04272067

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2005 13 No

Popular Name: 4-methyl-3,4-dihydro-2H-1,4-benzoxazine-7-carbaldehyde 4-methyl-3,4-dihydro-2H-1,4-benz…

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CAS Numbers: 141103-93-7 , [141103-93-7]

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) 1.68 2.8 -10.53 0 3 0 30 177.203 1 ↓

Vendor Notes

Note Type Comments Provided By
Mp [°C] 70 - 71 Acros Organics
Purity 97% Fluorochem
S phrase S24/25: Avoid contact with skin and eyes. Acros Organics

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