Basic information
- CAS
73837-59-9- Standard SMILES
O=C(O)C(Cc1ccc(O)c([N+](=O)[O-])c1)N1C(=O)c2ccccc2C1=O- InChIKey
DPWOSPPSFSUKHY-UHFFFAOYSA-N- Molecular formula
- C17H12N2O7
- Average molar mass
- 356.29 g/mol
- Monoisotopic mass
- 356.06445073
Names & identifiers
- Preferred name
- 2-Isoindolineacetic acid, 1,3-dioxo-alpha-(4-hydroxy-3-nitrobenzyl)-
- IUPAC
- 2-(1,3-dioxoisoindol-2-yl)-3-(4-hydroxy-3-nitrophenyl)propanoic acid
- English name
- 1,3-Dioxo-α-(4-hydroxy-3-nitrophenylmethyl)-2-isoindolineacetic acid
- Molecular formula
- C17H12N2O7
- Molecular weight
- 356.29
Names & synonyms
2-ISOINDOLINEACETIC ACID, 1,3-DIOXO-alpha-(4-HYDROXY-3-NITROBENZYL)-RefChem:106353573837-59-9NSC1069201,3-Dioxo-alpha-(4-hydroxy-3-nitrobenzyl)-2-isoindolineacetic acidMLS0027039441,3-Dioxo-.alpha.-(4-hydroxy-3-nitrobenzyl)-2-isoindolineacetic acidNSC 106920NSC-106920CHEMBL1881589SCHEMBL13659482DTXSID701384593
Show more names
1,3-Dioxo-α-(4-hydroxy-3-nitrophenylmethyl)-2-isoindolineacetic acid2H-Isoindole-2-acetic acid, 1,3-dihydro-α-[(4-hydroxy-3-nitrophenyl)methyl]-1,3-dioxo-
2H-Isoindole-2-acetic acid, 1,3-dihydro-alpha-((4-hydroxy-3-nitrophenyl)methyl)-1,3-dioxo-NCI60_000164SMR0015706562-Isoindolineacetic acid,3-dioxo-.alpha.-(4-hydroxy-3-nitrobenzyl)-2H-Isoindole-2-acetic acid,3-dihydro-.alpha.-[(4-hydroxy-3-nitrophenyl)methyl]-1,3-dioxo-2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-3-(4-hydroxy-3-(hydroxy(oxido)amino)phenyl)propanoic acid
Database identifiers
- CAS
73837-59-9
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 141 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 593
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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