(3R,4S)-rel-4-(3-Hydroxyphenyl)pyrrolidine-3-carboxylic acid
Basic information
- CAS
1392266-70-4- Standard SMILES
O=C(O)[C@H]1CNC[C@@H]1c1cccc(O)c1- InChIKey
PVSZHVAUFQAERY-ZJUUUORDSA-N- Molecular formula
- C11H13NO3
- Average molar mass
- 207.23 g/mol
- Monoisotopic mass
- 207.08954328
Names & identifiers
- Preferred name
- (3R,4S)-rel-4-(3-Hydroxyphenyl)pyrrolidine-3-carboxylic acid
- IUPAC
- (3R,4S)-4-(3-hydroxyphenyl)pyrrolidine-3-carboxylic acid
Names & synonyms
1392266-70-4(3R,4S)-rel-4-(3-Hydroxyphenyl)pyrrolidine-3-carboxylic acid(3R,4S)-4-(3-hydroxyphenyl)pyrrolidine-3-carboxylic acid3-Pyrrolidinecarboxylic acid, 4-(3-hydroxyphenyl)-, (3R,4S)-rel-SCHEMBL1816573G60117F553101
Database identifiers
- CAS
1392266-70-4- PubChem CID
- 56972010
- EC Number
- 116-769-1
Properties
Computed structural properties
- XLogP
- -1.8
- Topological polar surface area
- 69.6 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 244
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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