UCSF

ZINC14007440

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 1st, 2008 16 Yes

Popular Name: ethyl 4-methyl-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylate ethyl 4-methyl-3,4-dihydro-2H-1,…

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CAS Numbers: 54442-28-3 , [54442-28-3]

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) 2.13 5.42 -8.12 0 4 0 39 221.256 3 ↓

Vendor Notes

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

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Rings

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