2-(4-Amino-1,3-dioxoisoindolin-2-yl)acetic acid
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Basic information
- CAS
10133-86-5- Standard SMILES
Nc1cccc2c1C(=O)N(CC(=O)O)C2=O- InChIKey
NJOIQZUZWRAHSQ-UHFFFAOYSA-N- Molecular formula
- C10H8N2O4
- Average molar mass
- 220.18 g/mol
- Monoisotopic mass
- 220.04840674
Names & identifiers
- Preferred name
- 2-(4-Amino-1,3-dioxoisoindolin-2-yl)acetic acid
- IUPAC
- 2-(4-amino-1,3-dioxoisoindol-2-yl)acetic acid
- English name
- (4-AMINO-1,3-DIOXO-1,3-DIHYDRO-ISOINDOL-2-YL)-ACETIC ACID
- Molecular formula
- C10H8N2O4
- Molecular weight
- 220.18
Names & synonyms
10133-86-52-(4-Amino-1,3-dioxoisoindolin-2-yl)acetic acid(4-Amino-1,3-dioxo-1,3-dihydro-isoindol-2-yl)-acetic acid2-(4-amino-1,3-dioxoisoindol-2-yl)acetic acidMFCD00448613(4-amino-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetic acidOprea1_231727SCHEMBL4303689SCHEMBL30097232NJOIQZUZWRAHSQ-UHFFFAOYSA-N(4-Amino-1,3-dioxo-1,3-dihydroisoindol-2-yl) acetic acidHMS1680A04
Show more names
2H-Isoindole-2-acetic acid, 4-amino-1,3-dihydro-1,3-dioxo-
AKOS000634877SB65394DB-016453EU-0033983ST502720532-(4-Amino-1,3-dioxoisoindolin-2-yl)aceticacidAH-034/34345057SR-01000393078
Database identifiers
- CAS
10133-86-5- PubChem CID
- 829795
Properties
Computed structural propertiesFilling in
- XLogP
- 0.4
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 355
Physicochemical properties
- Boiling point
- 494.7 · 494.7±30.0 °C(Predicted)
- Density
- 1.606 · 1.606±0.06 g/cm3(Predicted)
- pka
- 3.67 · 3.67±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Related reactions
4 records
Compound notes
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