Basic information
- CAS
80-72-8- Standard SMILES
O=C1CCC(O)=C1O- InChIKey
CRTGSPPMTACQBL-UHFFFAOYSA-N- Molecular formula
- C5H6O3
- Average molar mass
- 114.1 g/mol
- Monoisotopic mass
- 114.03169405
Overview
RN given refers to parent cpd
Names & identifiers
- Preferred name
- Reductic acid
- IUPAC
- 2,3-dihydroxycyclopent-2-en-1-one
- English name
- reductic acid
- Molecular formula
- C5H6O3
- Molecular weight
- 114.1
Names & synonyms
Reductic acid80-72-846L13F32TCNSC-6427882-Cyclopenten-1-one, 2,3-dihydroxy-DTXSID60229997RefChem:178726DTXCID101524882,3-dihydroxycyclopent-2-en-1-one2,3-Dihydroxy-2-cyclopenten-1-oneNSC642788UNII-46L13F32TC
Show more names
2-cyclopenten-2,3-diol-1-onedihydroxycyclopentenoneREDUCTINIC ACIDREDUCTIC ACID [MI]SCHEMBL80579CHEMBL323284NCI60_014479Q27258940
Database identifiers
- CAS
80-72-8- PubChem CID
- 65726
- DTXSID
DTXSID60229997- ChEMBL
CHEMBL323284- UNII
- 46L13F32TC
- Nikkaji
- J10.511B
Properties
Computed structural properties
- XLogP
- -0.2
- Topological polar surface area
- 57.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 157
Physicochemical properties
- Melting point
- 212 °C · 212°C
- Boiling point
- 173.58 °C · 173.58°C (rough estimate)
- Density
- 1.2583 · 1.2583 (rough estimate)
- refractive index
- 1.463 · 1.4630 (estimate)
- pka
- 1 · pK1:4.72 (20°C)
- FDA UNII
- 46 L13F32TC · 46L13F32TC
Chemistry & industry
Suppliers1 total
BOC Sciences+1-631-485-4226 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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