2-methoxycarbonylcyclobutene-1-carboxylic acid

C7H8O4 — CID 13265871

IUPAC2-methoxycarbonylcyclobutene-1-carboxylic acid
SMILESCOC(=O)C1=C(C(=O)O)CC1
InChIInChI=1S/C7H8O4/c1-11-7(10)5-3-2-4(5)6(8)9/h2-3H2,1H3,(H,8,9)
InChIKeyOXESBZKQBYYRBW-UHFFFAOYSA-N
MW156.14 g/mol
LogP0.33
Rot. Bonds2

About 2-methoxycarbonylcyclobutene-1-carboxylic acid

2-methoxycarbonylcyclobutene-1-carboxylic acid (PubChem CID 13265871) has the molecular formula C7H8O4 and a molecular weight of 156.14 g/mol. Its IUPAC name is 2-methoxycarbonylcyclobutene-1-carboxylic acid.

Molecular Properties

Compound Name2-methoxycarbonylcyclobutene-1-carboxylic acid
PubChem CID13265871
Molecular FormulaC7H8O4
Molecular Weight156.14 g/mol
Exact Mass156.04
IUPAC Name2-methoxycarbonylcyclobutene-1-carboxylic acid
SMILESCOC(=O)C1=C(C(=O)O)CC1
InChIInChI=1S/C7H8O4/c1-11-7(10)5-3-2-4(5)6(8)9/h2-3H2,1H3,(H,8,9)
InChIKeyOXESBZKQBYYRBW-UHFFFAOYSA-N
XLogP0.33
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.14
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methoxycarbonylcyclobutene-1-carboxylic acid?
The IUPAC name of 2-methoxycarbonylcyclobutene-1-carboxylic acid (CID 13265871) is 2-methoxycarbonylcyclobutene-1-carboxylic acid.
What is the SMILES notation for 2-methoxycarbonylcyclobutene-1-carboxylic acid?
The canonical SMILES for 2-methoxycarbonylcyclobutene-1-carboxylic acid is COC(=O)C1=C(C(=O)O)CC1.
What is the InChIKey of 2-methoxycarbonylcyclobutene-1-carboxylic acid?
The InChIKey is OXESBZKQBYYRBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8O4/c1-11-7(10)5-3-2-4(5)6(8)9/h2-3H2,1H3,(H,8,9).
What are the key properties of 2-methoxycarbonylcyclobutene-1-carboxylic acid?
2-methoxycarbonylcyclobutene-1-carboxylic acid has a molecular weight of 156.14 g/mol, XLogP of 0.33, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxycarbonylcyclobutene-1-carboxylic acid is sourced from PubChem (CID 13265871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).