Cyclobutanecarboxylic acid, 3-tert-butyl-
Basic information
- CAS
66016-27-1- Standard SMILES
CC(C)(C)C1CC(C(=O)O)C1- InChIKey
RWZPVFOKYIJACO-UHFFFAOYSA-N- Molecular formula
- C9H16O2
- Average molar mass
- 156.22 g/mol
- Monoisotopic mass
- 156.11502975
Names & identifiers
- Preferred name
- Cyclobutanecarboxylic acid, 3-tert-butyl-
- IUPAC
- 3-tert-butylcyclobutane-1-carboxylic acid
- English name
- 3-tert-Butylcyclobutanecarboxylic acid
- Molecular formula
- C9H16O2
- Molecular weight
- 156.22
Names & synonyms
66016-27-1CYCLOBUTANECARBOXYLIC ACID, 3-tert-BUTYL-3-tert-Butyl-cyclobutanecarboxylic acid3-(1,1-Dimethylethyl)-cyclobutanecarboxylic acidDTXSID10216231RefChem:334936DTXCID101387223-tert-butylcyclobutane-1-carboxylic acid3-tert-Butylcyclobutanecarboxylic acid3-(tert-Butyl)cyclobutane-1-carboxylic acidMFCD01734238SCHEMBL12384655
Show more names
SCHEMBL12424332RCA01627AKOS0113463853-tert-butylcyclobutane-1-carboxylicacidEN300-152584F98183Cyclobutanecarboxylic acid, 3-(1,1-dimethylethyl)-
Database identifiers
- CAS
66016-27-1- PubChem CID
- 47805
- DTXSID
DTXSID10216231- Nikkaji
- J57.855J
Properties
Computed structural properties
- XLogP
- 2.2
- 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
- 161
Physicochemical properties
- storage temp.
- Store at Room Tem.
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405-P501
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
- H315-H319-H335
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405-P501
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…