Basic information
- CAS
29588-83-8- Standard SMILES
C[C@H](C(=O)O)N1C(=O)c2ccccc2C1=O- InChIKey
OZWUITKBAWTEAQ-ZCFIWIBFSA-N- Molecular formula
- C11H9NO4
- Average molar mass
- 219.19 g/mol
- Monoisotopic mass
- 219.05315777
Names & identifiers
- Preferred name
- (2R)-2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)propanoic acid
- IUPAC
- (2R)-2-(1,3-dioxoisoindol-2-yl)propanoic acid
- English name
- NISTC29588838
- Molecular formula
- C11H9NO4
- Molecular weight
- 219.19
Names & synonyms
(2R)-2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)propanoic acidRefChem:396999826-003-429588-83-8(R)-2-(1,3-DIOXOISOINDOLIN-2-YL)PROPANOIC ACIDMFCD24479562(2R)-2-(1,3-dioxoisoindol-2-yl)propanoic acid(R)-Phthalimido propanoic acid2H-Isoindole-2-acetic acid, 1,3-dihydro-a-methyl-1,3-dioxo-, (aR)-(R)-N-phthaloylalanine2-Isoindolineacetic acid, 1,3-dioxo-alpha-methyl-, delta-SCHEMBL7399848
Show more names
2H-Isoindole-2-acetic acid, 1,3-dihydro-α-methyl-1,3-dioxo-, (αR)-
NISTC29588838AS-95296SY207870EN300-247943N12004(R)-2-(13-dioxoisoindolin-2-yl)propanoic acid(R)-2-(1,3-Dioxo-2-isoindolinyl)propanoic AcidF819524
Database identifiers
- CAS
29588-83-8- PubChem CID
- 720646
- EC Number
- 826-003-4
- Nikkaji
- J231.822I
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 74.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 328
Physicochemical properties
- Melting point
- 150 · 150-151 °C
- Boiling point
- 407.9 · 407.9±28.0 °C(Predicted)
- Density
- 1.467 · 1.467±0.06 g/cm3(Predicted)
- pka
- 3 · 3+-.0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 280 · P280-P261-P271
- HS Code
- 2925199590 · 2925199590
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- hs_code
- 2925199590
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P280-P261-P271
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers11 total
Sichuan Biosynce Pharmatech Co., Ltd.[email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
上海柯维化学技术有限公司021-64609169 18901607656 · [email protected]
烟台盛凯伦生物制品有限公司13356901049 · [email protected]
济南德迈医药科技有限公司18669728830 15806766175 · [email protected]
上海皓鸿生物医药科技有限公司
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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