Basic information
- CAS
1535373-68-2- Standard SMILES
Cc1cc(C(=O)O)c(C)n1C1CCOC1- InChIKey
OFWBGOZIJRDZGC-UHFFFAOYSA-N- Molecular formula
- C11H15NO3
- Average molar mass
- 209.24 g/mol
- Monoisotopic mass
- 209.10519334
Names & identifiers
- Preferred name
- 2,5-dimethyl-1-(oxolan-3-yl)-1H-pyrrole-3-carboxylic acid
- IUPAC
- 2,5-dimethyl-1-(oxolan-3-yl)pyrrole-3-carboxylic acid
Names & synonyms
1535373-68-22,5-dimethyl-1-(oxolan-3-yl)-1H-pyrrole-3-carboxylic acidRefChem:444500826-332-32,5-Dimethyl-1-(3-tetrahydrofuranyl)-1H-pyrrole-3-carboxylic Acid2,5-dimethyl-1-(oxolan-3-yl)pyrrole-3-carboxylic acidKLC37368AKOS019284644EN300-317296Z14305229212,5-dimethyl-1-(oxolan-3-yl)-1H-pyrrole-3-carboxylicacid
Database identifiers
- CAS
1535373-68-2- PubChem CID
- 80717239
- EC Number
- 826-332-3
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 51.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 256
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
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, 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 Irrit. 2 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…