2-(2,3-dihydro-1H-isoindol-2-yl)acetic acid
Basic information
- CAS
363165-80-4- Standard SMILES
O=C(O)CN1Cc2ccccc2C1- InChIKey
HZUNEPIRTFDGOT-UHFFFAOYSA-N- Molecular formula
- C10H11NO2
- Average molar mass
- 177.2 g/mol
- Monoisotopic mass
- 177.07897859
Names & identifiers
- Preferred name
- 2-(2,3-dihydro-1H-isoindol-2-yl)acetic acid
- IUPAC
- 2-(1,3-dihydroisoindol-2-yl)acetic acid
- English name
- (1,3-Dihydro-isoindol-2-yl)-acetic acid
- Molecular formula
- C10H11NO2
- Molecular weight
- 177.2
Names & synonyms
2-(2,3-dihydro-1H-isoindol-2-yl)acetic acidRefChem:451838887-723-2363165-80-42-(Isoindolin-2-yl)acetic acid2-(1,3-dihydroisoindol-2-yl)acetic acid2H-Isoindole-2-acetic acid, 1,3-dihydro-Isoindoline-2-acetic acid2-isoindolin-2-ylacetic acidMFCD04485858(1,3-Dihydro-isoindol-2-yl)-acetic acid2-(Isoindolin-2-yl)aceticacid
Show more names
AKOS BB-9356CHEMBRDG-BB 4003155UKRORGSYN-BB BBV-1823181,3-dihydro-2H-isoindol-2-ylacetic acid(SALTDATA: HCl)
1,3-DIHYDRO-2H-ISOINDOL-2-YLACETIC ACIDCHEMBL2299137SCHEMBL13088961DTXSID00359267HMS1695I05SBB027675AKOS000303232SB65958
Database identifiers
- CAS
363165-80-4- PubChem CID
- 954465
- DTXSID
DTXSID00359267- ChEMBL
CHEMBL2299137- EC Number
- 887-723-2
- Nikkaji
- J1.557.095D
Properties
Computed structural properties
- XLogP
- -1.4
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 191
Physicochemical properties
- Boiling point
- 317.3 · 317.3±30.0 °C(Predicted)
- Density
- 1.249 · 1.249±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 2.43 · 2.43±0.10(Predicted)
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%)
Chemistry & industry
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Compound notes
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