Basic information
- CAS
83747-30-2- Standard SMILES
O=C(O)CCN1Cc2ccccc2C1=O- InChIKey
QMNYVASLMSOSFP-UHFFFAOYSA-N- Molecular formula
- C11H11NO3
- Average molar mass
- 205.21 g/mol
- Monoisotopic mass
- 205.07389321
Names & identifiers
- Preferred name
- 3-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)propanoic acid
- IUPAC
- 3-(3-oxo-1H-isoindol-2-yl)propanoic acid
- English name
- 3-(1-OXO-1,3-DIHYDRO-2H-ISOINDOL-2-YL)PROPANOIC ACID
- Molecular formula
- C11H11NO3
- Molecular weight
- 205.21
Names & synonyms
3-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)propanoic acidRefChem:489613857-533-483747-30-23-(1-oxoisoindolin-2-yl)propanoic acid3-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)propanoic acid3-(3-oxo-1H-isoindol-2-yl)propanoic acidMFCD031312983-(1-Oxo-1,3-dihydro-2H-isoindol-2-yl)-propanoic acid3-(1-Oxo-1,3-dihydro-isoindol-2-yl)-propionic acidCHEMBL829493-(1-Oxoisoindolin-2-yl)propanoicacid
Show more names
2H-Isoindole-2-propanoic acid, 1,3-dihydro-1-oxo-
TimTec1_008233MLS000071070SCHEMBL315339cid_648461SCHEMBL31188916DTXSID10349457QMNYVASLMSOSFP-UHFFFAOYSA-N3-(N-Phthalimidino)propionic acid
Database identifiers
- CAS
83747-30-2- PubChem CID
- 648461
- DTXSID
DTXSID10349457- ChEMBL
CHEMBL82949- EC Number
- 857-533-4
- Nikkaji
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 57.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 277
Physicochemical properties
- Melting point
- 135 · 135-137 °C
- Boiling point
- 447.9 · 447.9±45.0 °C(Predicted)
- Density
- 1.325 · 1.325±0.06 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- pka
- 4.3 · 4.30±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- Hazard Codes
- Xi
- HazardClass
- IRRITANT
- HS Code
- 2933998090 · 2933998090
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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- hs_code
- 2933998090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_class
- IRRITANT
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers9 total
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]
Labnetwork lnc.+86-27-50766799 +86-18062016861 · [email protected]
北京建强伟业科技有限公司（FUSION弗珍试剂品牌）0531-88924771 15614660963 · [email protected]
常州合晶化工有限公司85528066 13775048983 · [email protected]
上海平果医药科技有限公司021-20432229 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 15955137747 · [email protected]
上海凯为化学科技有限公司021-58461859 15821823057 · [email protected]
上海源香科生物科技有限公司13248186658 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…