Basic information
- CAS
66702-19-0- Standard SMILES
O=C(O)C1CCC(=O)N1CO- InChIKey
ADXZNWSXVJABKX-UHFFFAOYSA-N- Molecular formula
- C6H9NO4
- Average molar mass
- 159.14 g/mol
Overview
structure
Names & identifiers
- Preferred name
- 1-(Hydroxymethyl)-5-oxoproline
- IUPAC
- 1-(hydroxymethyl)-5-oxopyrrolidine-2-carboxylic acid
- English name
- 1-(hydroxymethyl)-5-oxo-DL-proline
- Molecular formula
- C6H9NO4
- Molecular weight
- 159.14
Names & synonyms
1-(Hydroxymethyl)-5-oxo-DL-proline66702-19-0N-Hydroxymethylpyrrolidonecarboxylic acidDL-Proline, 1-(hydroxymethyl)-5-oxo-5D2376JXM2RefChem:9074421-(Hydroxymethyl)-5-oxoproline266-454-9EINECS 266-454-91-(hydroxymethyl)-5-oxopyrrolidine-2-carboxylic acidADXZNWSXVJABKX-UHFFFAOYSA-NDL-Proline,1-(hydroxymethyl)-5-oxo-
Show more names
Proline, 1-(hydroxymethyl)-5-oxo-(±)-1-(Hydroxymethyl)-5-oxoprolineProline, 1-(hydroxymethyl)-5-oxo- (9CI)
DB-258903NS00120038
Database identifiers
- CAS
66702-19-0- PubChem CID
- 5249294
- UNII
- 5D2376JXM2
- EC Number
- 266-454-9
Properties
Computed structural properties
- XLogP
- -0.6
- Topological polar surface area
- 77.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 191
Physicochemical properties
- Boiling point
- 454.888 · 454.888±40.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.486 · 1.486±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 3.378 · 3.378±0.20(predicted)
Chemistry & industry
Suppliers1 total
CHEMSTEP[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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