carbonoperoxoic acid;phthalic acid

C9H8O8 — CID 87562877

IUPACcarbonoperoxoic acid;phthalic acid
SMILESO=C(O)OO.O=C(O)c1ccccc1C(=O)O
InChIInChI=1S/C8H6O4.CH2O4/c9-7(10)5-3-1-2-4-6(5)8(11)12;2-1(3)5-4/h1-4H,(H,9,10)(H,11,12);4H,(H,2,3)
InChIKeySCKFWAOGGWAXEC-UHFFFAOYSA-N
MW244.15 g/mol
LogP1.24
Rot. Bonds2

About carbonoperoxoic acid;phthalic acid

carbonoperoxoic acid;phthalic acid (PubChem CID 87562877) has the molecular formula C9H8O8 and a molecular weight of 244.15 g/mol. Its IUPAC name is carbonoperoxoic acid;phthalic acid.

Molecular Properties

Compound Namecarbonoperoxoic acid;phthalic acid
PubChem CID87562877
Molecular FormulaC9H8O8
Molecular Weight244.15 g/mol
Exact Mass244.02
IUPAC Namecarbonoperoxoic acid;phthalic acid
SMILESO=C(O)OO.O=C(O)c1ccccc1C(=O)O
InChIInChI=1S/C8H6O4.CH2O4/c9-7(10)5-3-1-2-4-6(5)8(11)12;2-1(3)5-4/h1-4H,(H,9,10)(H,11,12);4H,(H,2,3)
InChIKeySCKFWAOGGWAXEC-UHFFFAOYSA-N
XLogP1.24
TPSA141.36 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.15
LogP ≤ 51.24
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

hydron;phthalic acid
CID 67386665
CID 66717184
CID 66717184
phthalic acid;hydrobromide
CID 71236392
barium(2+);hydride;phthalic acid
CID 173000011
bis(oxygen(2-));phthalic acid;titanium(4+)
CID 161084506
hydride;phthalic acid;rubidium(1+)
CID 173256629
magnesium;hydride;phthalic acid
CID 173000994
dilithium;hydride;phthalic acid
CID 173011412
benzene-1,2,4,5-tetracarboxylic acid;phthalic acid
CID 174433443
azane;phthalic acid;hydrochloride
CID 175440203
formaldehyde;phthalic acid
CID 174659618
magnesium;phthalic acid;dichloride
CID 22501626

Frequently Asked Questions

What is the IUPAC name of carbonoperoxoic acid;phthalic acid?
The IUPAC name of carbonoperoxoic acid;phthalic acid (CID 87562877) is carbonoperoxoic acid;phthalic acid.
What is the SMILES notation for carbonoperoxoic acid;phthalic acid?
The canonical SMILES for carbonoperoxoic acid;phthalic acid is O=C(O)OO.O=C(O)c1ccccc1C(=O)O.
What is the InChIKey of carbonoperoxoic acid;phthalic acid?
The InChIKey is SCKFWAOGGWAXEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6O4.CH2O4/c9-7(10)5-3-1-2-4-6(5)8(11)12;2-1(3)5-4/h1-4H,(H,9,10)(H,11,12);4H,(H,2,3).
What are the key properties of carbonoperoxoic acid;phthalic acid?
carbonoperoxoic acid;phthalic acid has a molecular weight of 244.15 g/mol, XLogP of 1.24, 2 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for carbonoperoxoic acid;phthalic acid is sourced from PubChem (CID 87562877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).