2-Cyclopentyl-2-methylpropanoic acid
Basic information
- CAS
802918-34-9- Standard SMILES
CC(C)(C(=O)O)C1CCCC1- InChIKey
FBQSUMKPOXEXTN-UHFFFAOYSA-N- Molecular formula
- C9H16O2
- Average molar mass
- 156.22 g/mol
- Monoisotopic mass
- 156.11502975
Names & identifiers
- Preferred name
- 2-Cyclopentyl-2-methylpropanoic acid
- IUPAC
- 2-cyclopentyl-2-methylpropanoic acid
- English name
- 2-cyclopentyl-2-methylpropanoic acid
- Molecular formula
- C9H16O2
- Molecular weight
- 156.22
Names & synonyms
2-cyclopentyl-2-methylpropanoic acid802918-34-9MFCD18431153SCHEMBL62557942-cyclopentyl-2-methylpropanoicacidCHB918342-cyclopentyl-2-methyl-propanoic acidAKOS017516288AT29451DA-26326SY146545CS-0224306
Show more names
Cyclopentaneacetic acid, α,α-dimethyl-
EN300-118772F646437F8880-8574
Database identifiers
- CAS
802918-34-9- PubChem CID
- 69722490
- EC Number
- 881-030-9
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 155
Physicochemical properties
- Boiling point
- 120 · 120-125 °C(Press: 3-4 Torr)
- Density
- 1.044 · 1.044±0.06 g/cm3(Predicted)
- storage temp.
- Store at room temperature
- pka
- 4.95 · 4.95±0.10(Predicted)
- Appearance
- Light yellow to yellow Liquid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-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.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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