furan-2,3-dicarboxylic acid;3-(hydroxymethyl)furan-2-carbaldehyde

C12H10O8 — CID 174855873

IUPACfuran-2,3-dicarboxylic acid;3-(hydroxymethyl)furan-2-carbaldehyde
SMILESO=C(O)c1ccoc1C(=O)O.O=Cc1occc1CO
InChIInChI=1S/C6H4O5.C6H6O3/c7-5(8)3-1-2-11-4(3)6(9)10;7-3-5-1-2-9-6(5)4-8/h1-2H,(H,7,8)(H,9,10);1-2,4,7H,3H2
InChIKeyMRZAJIHJCYLLPK-UHFFFAOYSA-N
MW282.20 g/mol
LogP1.26
Rot. Bonds4

About furan-2,3-dicarboxylic acid;3-(hydroxymethyl)furan-2-carbaldehyde

furan-2,3-dicarboxylic acid;3-(hydroxymethyl)furan-2-carbaldehyde (PubChem CID 174855873) has the molecular formula C12H10O8 and a molecular weight of 282.20 g/mol. Its IUPAC name is furan-2,3-dicarboxylic acid;3-(hydroxymethyl)furan-2-carbaldehyde.

Molecular Properties

Compound Namefuran-2,3-dicarboxylic acid;3-(hydroxymethyl)furan-2-carbaldehyde
PubChem CID174855873
Molecular FormulaC12H10O8
Molecular Weight282.20 g/mol
Exact Mass282.04
IUPAC Namefuran-2,3-dicarboxylic acid;3-(hydroxymethyl)furan-2-carbaldehyde
SMILESO=C(O)c1ccoc1C(=O)O.O=Cc1occc1CO
InChIInChI=1S/C6H4O5.C6H6O3/c7-5(8)3-1-2-11-4(3)6(9)10;7-3-5-1-2-9-6(5)4-8/h1-2H,(H,7,8)(H,9,10);1-2,4,7H,3H2
InChIKeyMRZAJIHJCYLLPK-UHFFFAOYSA-N
XLogP1.26
TPSA138.18 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.20
LogP ≤ 51.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

acetic acid;3-(hydroxymethyl)furan-2-carbaldehyde
CID 126623280
3-ethylfuran-2-carbaldehyde;hydrate
CID 87415934
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CID 175572575
3-(2,3-dihydroxypropyl)furan-2-carbaldehyde
CID 150623076
furan-2,3-dicarboxylic acid;octane-1,1-diamine
CID 175955754
furan-2,3-dicarboxylic acid;piperidine-2,6-dione
CID 175955760
3-[(3-hydroxypropylamino)methyl]furan-2-carboxylic acid
CID 103238182
3-(ethoxymethyl)furan-2-carboxylic acid
CID 43153128
3-[[2-(2-hydroxyethoxy)ethylamino]methyl]furan-2-carboxylic acid
CID 103248940
2-(2-formylfuran-3-yl)thiophene-3-carboxylic acid
CID 89326066
3-(phenoxymethyl)furan-2-carbaldehyde
CID 175986612
3-(2-hydroxyethylsulfanylmethyl)furan-2-carboxylic acid
CID 43617356

Frequently Asked Questions

What is the IUPAC name of furan-2,3-dicarboxylic acid;3-(hydroxymethyl)furan-2-carbaldehyde?
The IUPAC name of furan-2,3-dicarboxylic acid;3-(hydroxymethyl)furan-2-carbaldehyde (CID 174855873) is furan-2,3-dicarboxylic acid;3-(hydroxymethyl)furan-2-carbaldehyde.
What is the SMILES notation for furan-2,3-dicarboxylic acid;3-(hydroxymethyl)furan-2-carbaldehyde?
The canonical SMILES for furan-2,3-dicarboxylic acid;3-(hydroxymethyl)furan-2-carbaldehyde is O=C(O)c1ccoc1C(=O)O.O=Cc1occc1CO.
What is the InChIKey of furan-2,3-dicarboxylic acid;3-(hydroxymethyl)furan-2-carbaldehyde?
The InChIKey is MRZAJIHJCYLLPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4O5.C6H6O3/c7-5(8)3-1-2-11-4(3)6(9)10;7-3-5-1-2-9-6(5)4-8/h1-2H,(H,7,8)(H,9,10);1-2,4,7H,3H2.
What are the key properties of furan-2,3-dicarboxylic acid;3-(hydroxymethyl)furan-2-carbaldehyde?
furan-2,3-dicarboxylic acid;3-(hydroxymethyl)furan-2-carbaldehyde has a molecular weight of 282.20 g/mol, XLogP of 1.26, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for furan-2,3-dicarboxylic acid;3-(hydroxymethyl)furan-2-carbaldehyde is sourced from PubChem (CID 174855873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).