2-carboxyperoxycarbonyloxyterephthalic acid

C10H6O10 — CID 21276584

IUPAC2-carboxyperoxycarbonyloxyterephthalic acid
SMILESO=C(O)OOC(=O)Oc1cc(C(=O)O)ccc1C(=O)O
InChIInChI=1S/C10H6O10/c11-7(12)4-1-2-5(8(13)14)6(3-4)18-10(17)20-19-9(15)16/h1-3H,(H,11,12)(H,13,14)(H,15,16)
InChIKeyAAPNYIYNJZHMKM-UHFFFAOYSA-N
MW286.15 g/mol
LogP1.21
Rot. Bonds3

About 2-carboxyperoxycarbonyloxyterephthalic acid

2-carboxyperoxycarbonyloxyterephthalic acid (PubChem CID 21276584) has the molecular formula C10H6O10 and a molecular weight of 286.15 g/mol. Its IUPAC name is 2-carboxyperoxycarbonyloxyterephthalic acid.

Molecular Properties

Compound Name2-carboxyperoxycarbonyloxyterephthalic acid
PubChem CID21276584
Molecular FormulaC10H6O10
Molecular Weight286.15 g/mol
Exact Mass286.00
IUPAC Name2-carboxyperoxycarbonyloxyterephthalic acid
SMILESO=C(O)OOC(=O)Oc1cc(C(=O)O)ccc1C(=O)O
InChIInChI=1S/C10H6O10/c11-7(12)4-1-2-5(8(13)14)6(3-4)18-10(17)20-19-9(15)16/h1-3H,(H,11,12)(H,13,14)(H,15,16)
InChIKeyAAPNYIYNJZHMKM-UHFFFAOYSA-N
XLogP1.21
TPSA156.66 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.15
LogP ≤ 51.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}, {'alert_name': 'phenyl_carbonate', 'substructure': 'N/A'}

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Related Compounds

carbonic acid;2-(2,5-dicarboxyphenyl)peroxyterephthalic acid
CID 88603711
2-pentoxyterephthalic acid
CID 86182031
2-(1,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluoronon-1-enoxy)terephthalic acid
CID 54240520
2-(4-propan-2-yloxyphenoxy)terephthalic acid
CID 19865536
2-diphenylphosphanyloxyterephthalic acid
CID 171479707
2-diphenylphosphoryloxyterephthalic acid
CID 175552705
2-octadecoxyterephthalic acid
CID 142668937
benzene-1,2,4-tricarboxylic acid;dihydrate
CID 70292833
tris(2-aminoterephthalic acid);iron
CID 146020005
2-bromoterephthalic acid;dihydrochloride
CID 175123722
2-(2-methylsulfanylethoxy)terephthalic acid
CID 175240037
2-(4-ethoxyphenoxy)terephthalic acid
CID 19865560

Frequently Asked Questions

What is the IUPAC name of 2-carboxyperoxycarbonyloxyterephthalic acid?
The IUPAC name of 2-carboxyperoxycarbonyloxyterephthalic acid (CID 21276584) is 2-carboxyperoxycarbonyloxyterephthalic acid.
What is the SMILES notation for 2-carboxyperoxycarbonyloxyterephthalic acid?
The canonical SMILES for 2-carboxyperoxycarbonyloxyterephthalic acid is O=C(O)OOC(=O)Oc1cc(C(=O)O)ccc1C(=O)O.
What is the InChIKey of 2-carboxyperoxycarbonyloxyterephthalic acid?
The InChIKey is AAPNYIYNJZHMKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6O10/c11-7(12)4-1-2-5(8(13)14)6(3-4)18-10(17)20-19-9(15)16/h1-3H,(H,11,12)(H,13,14)(H,15,16).
What are the key properties of 2-carboxyperoxycarbonyloxyterephthalic acid?
2-carboxyperoxycarbonyloxyterephthalic acid has a molecular weight of 286.15 g/mol, XLogP of 1.21, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-carboxyperoxycarbonyloxyterephthalic acid is sourced from PubChem (CID 21276584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).