2-methoxyacetic acid;oxaldehydic acid

C5H8O6 — CID 159112040

IUPAC2-methoxyacetic acid;oxaldehydic acid
SMILESCOCC(=O)O.O=CC(=O)O
InChIInChI=1S/C3H6O3.C2H2O3/c1-6-2-3(4)5;3-1-2(4)5/h2H2,1H3,(H,4,5);1H,(H,4,5)
InChIKeyKEPUCCNRCVHJNM-UHFFFAOYSA-N
MW164.11 g/mol
LogP-1.01
Rot. Bonds3

About 2-methoxyacetic acid;oxaldehydic acid

2-methoxyacetic acid;oxaldehydic acid (PubChem CID 159112040) has the molecular formula C5H8O6 and a molecular weight of 164.11 g/mol. Its IUPAC name is 2-methoxyacetic acid;oxaldehydic acid.

Molecular Properties

Compound Name2-methoxyacetic acid;oxaldehydic acid
PubChem CID159112040
Molecular FormulaC5H8O6
Molecular Weight164.11 g/mol
Exact Mass164.03
IUPAC Name2-methoxyacetic acid;oxaldehydic acid
SMILESCOCC(=O)O.O=CC(=O)O
InChIInChI=1S/C3H6O3.C2H2O3/c1-6-2-3(4)5;3-1-2(4)5/h2H2,1H3,(H,4,5);1H,(H,4,5)
InChIKeyKEPUCCNRCVHJNM-UHFFFAOYSA-N
XLogP-1.01
TPSA100.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.11
LogP ≤ 5-1.01
H-Bond Donors ≤ 52
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

CID 12301
CID 12301
CID 90039
CID 90039
CID 83766
CID 83766
CID 85241
CID 85241
CID 27642
CID 27642
CID 192850
CID 192850
CID 74701
CID 74701
CID 9859324
CID 9859324
CID 6454608
CID 6454608
CID 15122313
CID 15122313
CID 12227964
CID 12227964
CID 85242
CID 85242

Frequently Asked Questions

What is the IUPAC name of 2-methoxyacetic acid;oxaldehydic acid?
The IUPAC name of 2-methoxyacetic acid;oxaldehydic acid (CID 159112040) is 2-methoxyacetic acid;oxaldehydic acid.
What is the SMILES notation for 2-methoxyacetic acid;oxaldehydic acid?
The canonical SMILES for 2-methoxyacetic acid;oxaldehydic acid is COCC(=O)O.O=CC(=O)O.
What is the InChIKey of 2-methoxyacetic acid;oxaldehydic acid?
The InChIKey is KEPUCCNRCVHJNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6O3.C2H2O3/c1-6-2-3(4)5;3-1-2(4)5/h2H2,1H3,(H,4,5);1H,(H,4,5).
What are the key properties of 2-methoxyacetic acid;oxaldehydic acid?
2-methoxyacetic acid;oxaldehydic acid has a molecular weight of 164.11 g/mol, XLogP of -1.01, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyacetic acid;oxaldehydic acid is sourced from PubChem (CID 159112040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).