carbonic acid;formic acid;oxalic acid

C4H6O9 — CID 158955733

IUPACcarbonic acid;formic acid;oxalic acid
SMILESO=C(O)C(=O)O.O=C(O)O.O=CO
InChIInChI=1S/C2H2O4.CH2O3.CH2O2/c3-1(4)2(5)6;2-1(3)4;2-1-3/h(H,3,4)(H,5,6);(H2,2,3,4);1H,(H,2,3)
InChIKeyJLZDCWVFUQNVDQ-UHFFFAOYSA-N
MW198.08 g/mol
LogP-0.92
Rot. Bonds

About carbonic acid;formic acid;oxalic acid

carbonic acid;formic acid;oxalic acid (PubChem CID 158955733) has the molecular formula C4H6O9 and a molecular weight of 198.08 g/mol. Its IUPAC name is carbonic acid;formic acid;oxalic acid.

Molecular Properties

Compound Namecarbonic acid;formic acid;oxalic acid
PubChem CID158955733
Molecular FormulaC4H6O9
Molecular Weight198.08 g/mol
Exact Mass198.00
IUPAC Namecarbonic acid;formic acid;oxalic acid
SMILESO=C(O)C(=O)O.O=C(O)O.O=CO
InChIInChI=1S/C2H2O4.CH2O3.CH2O2/c3-1(4)2(5)6;2-1(3)4;2-1-3/h(H,3,4)(H,5,6);(H2,2,3,4);1H,(H,2,3)
InChIKeyJLZDCWVFUQNVDQ-UHFFFAOYSA-N
XLogP-0.92
TPSA169.43 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.08
LogP ≤ 5-0.92
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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CID 131858412
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CID 22559464

Frequently Asked Questions

What is the IUPAC name of carbonic acid;formic acid;oxalic acid?
The IUPAC name of carbonic acid;formic acid;oxalic acid (CID 158955733) is carbonic acid;formic acid;oxalic acid.
What is the SMILES notation for carbonic acid;formic acid;oxalic acid?
The canonical SMILES for carbonic acid;formic acid;oxalic acid is O=C(O)C(=O)O.O=C(O)O.O=CO.
What is the InChIKey of carbonic acid;formic acid;oxalic acid?
The InChIKey is JLZDCWVFUQNVDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H2O4.CH2O3.CH2O2/c3-1(4)2(5)6;2-1(3)4;2-1-3/h(H,3,4)(H,5,6);(H2,2,3,4);1H,(H,2,3).
What are the key properties of carbonic acid;formic acid;oxalic acid?
carbonic acid;formic acid;oxalic acid has a molecular weight of 198.08 g/mol, XLogP of -0.92, 0 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for carbonic acid;formic acid;oxalic acid is sourced from PubChem (CID 158955733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).