Basic information
- CAS
123529-38-4- Standard SMILES
O=C1CC(CO)C(O)=C1O- InChIKey
FWFMIDXFUGYZMV-UHFFFAOYSA-N- Molecular formula
- C6H8O4
- Average molar mass
- 144.12 g/mol
- Monoisotopic mass
- 144.04225873
Overview
structure given in first source
Names & identifiers
- Preferred name
- Hydroxymethylreductic acid
- IUPAC
- 2,3-dihydroxy-4-(hydroxymethyl)cyclopent-2-en-1-one
- English name
- 2-Cyclopenten-1-one, 2,3-dihydroxy-4-(hydroxymethyl)- (9CI)
- Molecular formula
- C6H8O4
- Molecular weight
- 144.12532
Names & synonyms
HMRAHydroxymethylreductic acid123529-38-4RefChem:1472232,3-dihydroxy-4-(hydroxymethyl)cyclopent-2-en-1-oneSCHEMBL29372847DTXSID809245332-Cyclopenten-1-one, 2,3-dihydroxy-4-(hydroxymethyl)-2-Cyclopenten-1-one, 2,3-dihydroxy-4-(hydroxymethyl)- (9CI)
Database identifiers
- CAS
123529-38-4- PubChem CID
- 124245
- DTXSID
DTXSID80924533
Properties
Computed structural properties
- XLogP
- -0.6
- Topological polar surface area
- 77.8 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 194
Physicochemical properties
- LogP
- -1.404 · -1.404 (est)
Chemistry & industry
Suppliers1 total
CHEMSTEP[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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