Basic information
- CAS
933060-65-2- Standard SMILES
O=C(O)C1CCCN1C(=O)c1ccco1- InChIKey
HVKHSTWTJLFRBZ-UHFFFAOYSA-N- Molecular formula
- C10H11NO4
- Average molar mass
- 209.2 g/mol
- Monoisotopic mass
- 209.06880783
Overview
See other relationships...
Names & identifiers
- Preferred name
- 1-(Furan-2-carbonyl)pyrrolidine-2-carboxylic acid
- IUPAC
- 1-(furan-2-carbonyl)pyrrolidine-2-carboxylic acid
- English name
- 1-(2-Furoyl)pyrrolidine-2-carboxylic acid
- Molecular formula
- C10H11NO4
- Molecular weight
- 209.2
Names & synonyms
1-(furan-2-carbonyl)pyrrolidine-2-carboxylic acid933060-65-2117918-56-61-(2-furoyl)pyrrolidine-2-carboxylic acid1-(2-furylcarbonyl)pyrrolidine-2-carboxylic acidWAY-6457921-(2-Furoyl)proline #Oprea1_761587SCHEMBL5310085CHEMBL4127492HVKHSTWTJLFRBZ-UHFFFAOYSA-NHMS1698N03
Show more names
ASINEX-REAG BAS 02400991Proline, 1-(2-furanylcarbonyl)-1-(FURAN-2-CARBONYL)-PYRROLIDINE-2-CARBOXYLIC ACID
IMB06065SBB027964AKOS000264081AKOS016037583CS-0225268ST50264411EN300-12327G37097
Database identifiers
- CAS
933060-65-2- PubChem CID
- 565745
- ChEMBL
CHEMBL4127492- EC Number
- 188-089-3
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 70.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 279
Physicochemical properties
- Boiling point
- 415.346 · 415.346±35.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.378 · 1.378±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 3.685 · 3.685±0.20(predicted)
- Hazard Codes
- Xi
- Risk Statements
- 43 · 43
- Safety Statements
- 36 · 36/37
- HazardClass
- IRRITANT
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
- risk_code
- 43
- hazard_code
- Xi
- safety_code
- 36/37
- hazard_class
- IRRITANT
Chemistry & industry
Suppliers2 total
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
常州合晶化工有限公司85528066 13775048983 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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