3-(3-Oxocyclopentyl)propanoic acid
Basic information
- CAS
34399-77-4- Standard SMILES
O=C(O)CCC1CCC(=O)C1- InChIKey
HEUDYJVJGYXYLX-UHFFFAOYSA-N- Molecular formula
- C8H12O3
- Average molar mass
- 156.18 g/mol
- Monoisotopic mass
- 156.07864424
Names & identifiers
- Preferred name
- 3-(3-Oxocyclopentyl)propanoic acid
- IUPAC
- 3-(3-oxocyclopentyl)propanoic acid
- English name
- 3-(3-Oxo-cyclopentyl)-propionic acid
- Molecular formula
- C8H12O3
- Molecular weight
- 156.18
Names & synonyms
3-(3-oxocyclopentyl)propanoic acidDTXSID40306553RefChem:492195DTXCID70257680882-356-434399-77-43-(3-oxo-cyclopentyl)-propionic acidNSC1774533-(3-oxocyclopentyl)propanoicacidJBA39977NSC-177453DS-013826
Show more names
Cyclopentanepropanoic acid, 3-oxo-
CS-0435635EN300-331890
Database identifiers
- CAS
34399-77-4- PubChem CID
- 301167
- DTXSID
DTXSID40306553- EC Number
- 882-356-4
Properties
Computed structural properties
- XLogP
- 0.1
- Topological polar surface area
- 54.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 174
Physicochemical properties
- Boiling point
- 324.2 · 324.2±15.0 °C(Predicted)
- Density
- 1.166 · 1.166±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 4.68 · 4.68±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-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.
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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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