2-methoxyphenol;oxalic acid

C9H10O6 — CID 162319729

IUPAC2-methoxyphenol;oxalic acid
SMILESCOc1ccccc1O.O=C(O)C(=O)O
InChIInChI=1S/C7H8O2.C2H2O4/c1-9-7-5-3-2-4-6(7)8;3-1(4)2(5)6/h2-5,8H,1H3;(H,3,4)(H,5,6)
InChIKeyRWZWBZCPIICUTQ-UHFFFAOYSA-N
MW214.17 g/mol
LogP0.56
Rot. Bonds1

About 2-methoxyphenol;oxalic acid

2-methoxyphenol;oxalic acid (PubChem CID 162319729) has the molecular formula C9H10O6 and a molecular weight of 214.17 g/mol. Its IUPAC name is 2-methoxyphenol;oxalic acid.

Molecular Properties

Compound Name2-methoxyphenol;oxalic acid
PubChem CID162319729
Molecular FormulaC9H10O6
Molecular Weight214.17 g/mol
Exact Mass214.05
IUPAC Name2-methoxyphenol;oxalic acid
SMILESCOc1ccccc1O.O=C(O)C(=O)O
InChIInChI=1S/C7H8O2.C2H2O4/c1-9-7-5-3-2-4-6(7)8;3-1(4)2(5)6/h2-5,8H,1H3;(H,3,4)(H,5,6)
InChIKeyRWZWBZCPIICUTQ-UHFFFAOYSA-N
XLogP0.56
TPSA104.06 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.17
LogP ≤ 50.56
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-methoxyphenol;oxalic acid?
The IUPAC name of 2-methoxyphenol;oxalic acid (CID 162319729) is 2-methoxyphenol;oxalic acid.
What is the SMILES notation for 2-methoxyphenol;oxalic acid?
The canonical SMILES for 2-methoxyphenol;oxalic acid is COc1ccccc1O.O=C(O)C(=O)O.
What is the InChIKey of 2-methoxyphenol;oxalic acid?
The InChIKey is RWZWBZCPIICUTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8O2.C2H2O4/c1-9-7-5-3-2-4-6(7)8;3-1(4)2(5)6/h2-5,8H,1H3;(H,3,4)(H,5,6).
What are the key properties of 2-methoxyphenol;oxalic acid?
2-methoxyphenol;oxalic acid has a molecular weight of 214.17 g/mol, XLogP of 0.56, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyphenol;oxalic acid is sourced from PubChem (CID 162319729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).