2-Cyclobutylpropanedioic acid
Basic information
- CAS
4415-79-6- Standard SMILES
O=C(O)C(C(=O)O)C1CCC1- InChIKey
FAMILBFBZCRHRZ-UHFFFAOYSA-N- Molecular formula
- C7H10O4
- Average molar mass
- 158.15 g/mol
- Monoisotopic mass
- 158.0579088
Names & identifiers
- Preferred name
- 2-Cyclobutylpropanedioic acid
- IUPAC
- 2-cyclobutylpropanedioic acid
Names & synonyms
2-cyclobutylpropanedioic acid4415-79-6RefChem:470821976-960-82-cyclobutylpropanedioicacidcyclobutanemalonic acidSCHEMBL4233684EAA41579EN300-214748
Database identifiers
- CAS
4415-79-6- PubChem CID
- 22326130
- EC Number
- 976-960-8
- Nikkaji
- J2.884.557J
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 74.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 169
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
Danger
H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
P260, P261, P264, P271, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P363, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Corr. 1B (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…