Methyl 4-(5-amino-1,3-dioxoisoindolin-2-yl)benzoate
Basic information
- CAS
300689-77-4- Standard SMILES
COC(=O)c1ccc(N2C(=O)c3ccc(N)cc3C2=O)cc1- InChIKey
YIYXYIGDVXZEKU-UHFFFAOYSA-N- Molecular formula
- C16H12N2O4
- Average molar mass
- 296.28 g/mol
Names & identifiers
- Preferred name
- Methyl 4-(5-amino-1,3-dioxoisoindolin-2-yl)benzoate
- IUPAC
- methyl 4-(5-amino-1,3-dioxoisoindol-2-yl)benzoate
- English name
- 4-(5-Amino-1,3-dioxo-1,3-dihydro-isoindol-2-yl)-benzoic acid methyl ester
- Molecular formula
- C16H12N2O4
- Molecular weight
- 296.28
Names & synonyms
300689-77-4Methyl 4-(5-amino-1,3-dioxoisoindolin-2-yl)benzoate4-(5-amino-1,3-dioxo-1,3-dihydroisoindol-2-yl)benzoic acid methyl estermethyl 4-(5-amino-1,3-dioxoisoindol-2-yl)benzoate4-(5-amino-1,3-dioxo-1,3-dihydroisoindol-2-yl)-benzoic acid methyl estermethyl 4-(5-amino-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)benzoate4-(5-Amino-1,3-dioxo-1,3-dihydro-isoindol-2-yl)-benzoic acid methyl esterOprea1_360761Oprea1_569669HMS1676N03STK752081AKOS000732850
Show more names
Benzoic acid, 4-(5-amino-1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)-, methyl ester
SB64837CS-0366389ST50216538AG-690/07584010F015496SR-01000313863SR-01000313863-1Methyl4-(5-amino-1,3-dioxoisoindolin-2-yl)benzoate
Database identifiers
- CAS
300689-77-4
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 89.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 485
Physicochemical properties
- Boiling point
- 549.7 · 549.7±60.0 °C(Predicted)
- Density
- 1.431 · 1.431±0.06 g/cm3(Predicted)
- pka
- 0.65 · 0.65±0.20(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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