Basic information
- CAS
473-35-8- Standard SMILES
CC(C)(C(=O)O)C1CCC(C(=O)O)C1- InChIKey
QSRHRQWRLFGZKS-UHFFFAOYSA-N- Molecular formula
- C10H16O4
- Average molar mass
- 200.23 g/mol
- Monoisotopic mass
- 200.10485899
Names & identifiers
- Preferred name
- 2-(3-Carboxycyclopentyl)-2-methylpropionic acid
- IUPAC
- 3-(2-carboxypropan-2-yl)cyclopentane-1-carboxylic acid
- English name
- 2-(3-carboxycyclopentyl)-2-methylpropionic acid
- Molecular formula
- C10H16O4
- Molecular weight
- 200.23
Names & synonyms
473-35-82-(3-Carboxycyclopentyl)-2-methylpropionic acidEINECS 207-464-53-(2-carboxypropan-2-yl)cyclopentane-1-carboxylic acid7WJ7V3LJE9DTXSID10963793QSRHRQWRLFGZKS-UHFFFAOYSA-NAKOS004120794NS00042872Cyclopentaneacetic acid, 3-carboxy-alpha,alpha-dimethyl-3-Carboxy-α,α-dimethylcyclopentaneacetic acidCyclopentaneacetic acid, 3-carboxy-α,α-dimethyl- (8CI,9CI)
Show more names
3-(2-hydroxy-2-keto-1,1-dimethyl-ethyl)cyclopentanecarboxylic acid3-(1-hydroxy-2-methyl-1-oxopropan-2-yl)cyclopentane-1-carboxylic acid3-(1-hydroxy-2-methyl-1-oxo-propan-2-yl)cyclopentane-1-carboxylic acid
Database identifiers
- CAS
473-35-8- PubChem CID
- 101698
- DTXSID
DTXSID10963793- UNII
- 7WJ7V3LJE9
- EC Number
- 207-464-5
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 74.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 257
Physicochemical properties
- Melting point
- 135.5 · 135.5-136.5 °C(Solv: acetic acid, 8% (64-19-7))
- Boiling point
- 383.4 · 383.4±15.0 °C(Predicted)
- Density
- 1.237 · 1.237±0.06 g/cm3(Predicted)
- pka
- 4.68 · 4.68±0.40(Predicted)
Chemistry & industry
Suppliers2 total
陕西缔都医药化工有限公司029-029-029-81148696 18161915376 · [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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