Basic information
- CAS
1889-96-9- Standard SMILES
CC1(C)C(=O)C(O)=C(O)C1(C)C- InChIKey
XBDZRROTFKRVES-UHFFFAOYSA-N- Molecular formula
- C9H14O3
- Average molar mass
- 170.21 g/mol
- Monoisotopic mass
- 170.0942943
Overview
structure given in first source
Names & identifiers
- Preferred name
- 2,3-Dihydroxy-4,4,5,5-tetramethyl-2-cyclopenten-1-one
- IUPAC
- 2,3-dihydroxy-4,4,5,5-tetramethylcyclopent-2-en-1-one
- English name
- 2,3-dihydroxy-4,4,5,5-tetramethylcyclopent-2-en-1-one
- Molecular formula
- C9H14O3
- Molecular weight
- 170.20566
Names & synonyms
1889-96-9Tetramethylreductic acid2-Cyclopenten-1-one, 2,3-dihydroxy-4,4,5,5-tetramethyl-DTXSID60620444,4,5,5-tetramethyl-2,3-dihydroxy-2-cyclopenten-1-oneTMRARefChem:897361DTXCID40359682,3-Dihydroxy-4,4,5,5-tetramethyl-2-cyclopenten-1-one217-569-82,3-Dihydroxy-4,4,5,5-tetramethylcyclopent-2-en-1-oneEINECS 217-569-8
Show more names
SCHEMBL11321650AKOS006329854NS00026185
Database identifiers
- CAS
1889-96-9- PubChem CID
- 74682
- DTXSID
DTXSID6062044- EC Number
- 217-569-8
- Nikkaji
- J199.713K
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 57.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 271
Physicochemical properties
- EPA Substance Registry System
- 2 · 2-Cyclopenten-1-one, 2,3-dihydroxy-4,4,5,5-tetramethyl- (1889-96-9)
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing Information2-Cyclopenten-1-one, 2,3-dihydroxy-4,4,5,5-tetramethyl-: INACTIVE
Upstream & downstream products
Upstream raw materials
Suppliers2 total
陕西缔都医药化工有限公司029-029-81120477 17792793610 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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