Basic information
- CAS
1164123-34-5- Standard SMILES
O=C(O)[C@H]1CCCN1C(=O)c1cccs1- InChIKey
IILFMWQTZZFXTM-SSDOTTSWSA-N- Molecular formula
- C10H11NO3S
- Average molar mass
- 225.27 g/mol
- Monoisotopic mass
- 225.04596439
Names & identifiers
- Preferred name
- (2R)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxylic acid
- IUPAC
- (2R)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxylic acid
Names & synonyms
1164123-34-5(2R)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxylic acidRefChem:396838964-603-9(2R)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxylicacid(R)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxylic acidAKOS017335899EN300-931635G19401
Database identifiers
- CAS
1164123-34-5- PubChem CID
- 714595
- EC Number
- 964-603-9
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 85.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 282
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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, 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 CategoriesAcute Tox. 4 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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