2,3-dihydroxybut-2-enedioic acid;dihydrate

C4H8O8 — CID 57347970

IUPAC2,3-dihydroxybut-2-enedioic acid;dihydrate
SMILESO.O.O=C(O)C(O)=C(O)C(=O)O
InChIInChI=1S/C4H4O6.2H2O/c5-1(3(7)8)2(6)4(9)10;;/h5-6H,(H,7,8)(H,9,10);2*1H2
InChIKeyLDRMCGGUXOJSDA-UHFFFAOYSA-N
MW184.10 g/mol
LogP-2.17
Rot. Bonds2

About 2,3-dihydroxybut-2-enedioic acid;dihydrate

2,3-dihydroxybut-2-enedioic acid;dihydrate (PubChem CID 57347970) has the molecular formula C4H8O8 and a molecular weight of 184.10 g/mol. Its IUPAC name is 2,3-dihydroxybut-2-enedioic acid;dihydrate.

Molecular Properties

Compound Name2,3-dihydroxybut-2-enedioic acid;dihydrate
PubChem CID57347970
Molecular FormulaC4H8O8
Molecular Weight184.10 g/mol
Exact Mass184.02
IUPAC Name2,3-dihydroxybut-2-enedioic acid;dihydrate
SMILESO.O.O=C(O)C(O)=C(O)C(=O)O
InChIInChI=1S/C4H4O6.2H2O/c5-1(3(7)8)2(6)4(9)10;;/h5-6H,(H,7,8)(H,9,10);2*1H2
InChIKeyLDRMCGGUXOJSDA-UHFFFAOYSA-N
XLogP-2.17
TPSA178.06 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.10
LogP ≤ 5-2.17
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroxybut-2-enedioic acid;dihydrate?
The IUPAC name of 2,3-dihydroxybut-2-enedioic acid;dihydrate (CID 57347970) is 2,3-dihydroxybut-2-enedioic acid;dihydrate.
What is the SMILES notation for 2,3-dihydroxybut-2-enedioic acid;dihydrate?
The canonical SMILES for 2,3-dihydroxybut-2-enedioic acid;dihydrate is O.O.O=C(O)C(O)=C(O)C(=O)O.
What is the InChIKey of 2,3-dihydroxybut-2-enedioic acid;dihydrate?
The InChIKey is LDRMCGGUXOJSDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4O6.2H2O/c5-1(3(7)8)2(6)4(9)10;;/h5-6H,(H,7,8)(H,9,10);2*1H2.
What are the key properties of 2,3-dihydroxybut-2-enedioic acid;dihydrate?
2,3-dihydroxybut-2-enedioic acid;dihydrate has a molecular weight of 184.10 g/mol, XLogP of -2.17, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroxybut-2-enedioic acid;dihydrate is sourced from PubChem (CID 57347970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).