In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 23rd, 2004 | 24 | No |
Popular Name: methyl 4-(4-formyl-2-nitrophenoxy)-3-methoxybenzenecarboxylate methyl 4-(4-formyl-2-nitrophenox…
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CAS Numbers: 439095-22-4 , N/A
Methyl 4-(4-formyl-2-nitrophenoxy)-3-methoxybenzoate
methyl4-(4-formyl-2-nitrophenoxy)-3-methoxybenzenecarboxylate
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) | 3.33 | 4.45 | -21.62 | 0 | 8 | 0 | 107 | 331.28 | 7 | ↓ |
Note Type | Comments | Provided By |
---|---|---|
melting_point | 1.170000000000000e+002 - 1.180000000000000e+002 | KeyOrganics |
melting_point | 117 - 118 | KeyOrganics |
MP | 117-118° | Matrix Scientific |
Purity | >95% | Matrix Scientific |
Warnings | IRRITANT | Matrix Scientific |