Basic information
- CAS
135375-86-9- Standard SMILES
O=C1CCC(C(=O)O)(P(=O)(O)O)C1- InChIKey
TVMPVGRKCUJPPR-UHFFFAOYSA-N- Molecular formula
- C6H9O6P
- Average molar mass
- 208.11 g/mol
- Monoisotopic mass
- 208.013675
Names & identifiers
- Preferred name
- 3-Oxo-1-phosphonocyclopentanecarboxylic acid
- IUPAC
- 3-oxo-1-phosphonocyclopentane-1-carboxylic acid
Names & synonyms
3-Oxo-1-phosphonocyclopentanecarboxylic acid135375-86-9RefChem:281480SCHEMBL9350797TVMPVGRKCUJPPR-UHFFFAOYSA-NDTXSID7012556013-oxo-1-phosphonocyclopentane-1-carboxylic acid
Database identifiers
- CAS
135375-86-9- PubChem CID
- 19909136
- DTXSID
DTXSID701255601- EC Number
- 639-888-5
Properties
Computed structural properties
- XLogP
- -2.3
- Topological polar surface area
- 112 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 304
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
This chemical does not meet GHS hazard criteria for 100% (37 of 37) of all reports.
Not Classified
Aggregated GHS information provided per 37 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesNot Classified
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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