2-methoxyacetic acid;oxalic acid

C5H8O7 — CID 162328994

IUPAC2-methoxyacetic acid;oxalic acid
SMILESCOCC(=O)O.O=C(O)C(=O)O
InChIInChI=1S/C3H6O3.C2H2O4/c1-6-2-3(4)5;3-1(4)2(5)6/h2H2,1H3,(H,4,5);(H,3,4)(H,5,6)
InChIKeyKMUVXXQVNKGOAN-UHFFFAOYSA-N
MW180.11 g/mol
LogP-1.13
Rot. Bonds2

About 2-methoxyacetic acid;oxalic acid

2-methoxyacetic acid;oxalic acid (PubChem CID 162328994) has the molecular formula C5H8O7 and a molecular weight of 180.11 g/mol. Its IUPAC name is 2-methoxyacetic acid;oxalic acid.

Molecular Properties

Compound Name2-methoxyacetic acid;oxalic acid
PubChem CID162328994
Molecular FormulaC5H8O7
Molecular Weight180.11 g/mol
Exact Mass180.03
IUPAC Name2-methoxyacetic acid;oxalic acid
SMILESCOCC(=O)O.O=C(O)C(=O)O
InChIInChI=1S/C3H6O3.C2H2O4/c1-6-2-3(4)5;3-1(4)2(5)6/h2H2,1H3,(H,4,5);(H,3,4)(H,5,6)
InChIKeyKMUVXXQVNKGOAN-UHFFFAOYSA-N
XLogP-1.13
TPSA121.13 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.11
LogP ≤ 5-1.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methoxyacetic acid;oxalic acid?
The IUPAC name of 2-methoxyacetic acid;oxalic acid (CID 162328994) is 2-methoxyacetic acid;oxalic acid.
What is the SMILES notation for 2-methoxyacetic acid;oxalic acid?
The canonical SMILES for 2-methoxyacetic acid;oxalic acid is COCC(=O)O.O=C(O)C(=O)O.
What is the InChIKey of 2-methoxyacetic acid;oxalic acid?
The InChIKey is KMUVXXQVNKGOAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6O3.C2H2O4/c1-6-2-3(4)5;3-1(4)2(5)6/h2H2,1H3,(H,4,5);(H,3,4)(H,5,6).
What are the key properties of 2-methoxyacetic acid;oxalic acid?
2-methoxyacetic acid;oxalic acid has a molecular weight of 180.11 g/mol, XLogP of -1.13, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyacetic acid;oxalic acid is sourced from PubChem (CID 162328994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).