carbon dioxide;9-oxoxanthene-3-carboxylic acid

C15H8O6 — CID 158563906

IUPACcarbon dioxide;9-oxoxanthene-3-carboxylic acid
SMILESO=C(O)c1ccc2c(=O)c3ccccc3oc2c1.O=C=O
InChIInChI=1S/C14H8O4.CO2/c15-13-9-3-1-2-4-11(9)18-12-7-8(14(16)17)5-6-10(12)13;2-1-3/h1-7H,(H,16,17);
InChIKeyHRFQDYFFRVCIHN-UHFFFAOYSA-N
MW284.22 g/mol
LogP2.06
Rot. Bonds1

About carbon dioxide;9-oxoxanthene-3-carboxylic acid

carbon dioxide;9-oxoxanthene-3-carboxylic acid (PubChem CID 158563906) has the molecular formula C15H8O6 and a molecular weight of 284.22 g/mol. Its IUPAC name is carbon dioxide;9-oxoxanthene-3-carboxylic acid.

Molecular Properties

Compound Namecarbon dioxide;9-oxoxanthene-3-carboxylic acid
PubChem CID158563906
Molecular FormulaC15H8O6
Molecular Weight284.22 g/mol
Exact Mass284.03
IUPAC Namecarbon dioxide;9-oxoxanthene-3-carboxylic acid
SMILESO=C(O)c1ccc2c(=O)c3ccccc3oc2c1.O=C=O
InChIInChI=1S/C14H8O4.CO2/c15-13-9-3-1-2-4-11(9)18-12-7-8(14(16)17)5-6-10(12)13;2-1-3/h1-7H,(H,16,17);
InChIKeyHRFQDYFFRVCIHN-UHFFFAOYSA-N
XLogP2.06
TPSA101.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.22
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

6-oxobenzo[c]chromene-3-carboxylic acid
CID 20530939
1-chloro-9-oxoxanthene-3-carboxylic acid
CID 141148517
dibenzofuran-3-carboxylate
CID 51860493
2-bromo-2-(9-oxoxanthen-3-yl)oxyacetic acid
CID 23162217
5-oxochromeno[2,3-c]pyridine-7-carboxylic acid
CID 121468128
2-(dibenzofuran-3-carbonylamino)acetic acid
CID 169199306
trifluoromethanesulfonic acid;xanthen-9-one
CID 161488852
propane;xanthen-9-one
CID 90876458
2-methyl-4-oxochromene-7-carboxylic acid
CID 166609828
N-(diaminomethylidene)dibenzofuran-3-carboxamide
CID 72734862
3-(N-phenylanilino)chromeno[3,2-b]xanthene-12,14-dione
CID 164765343
3-[2-(4-hydroxyphenyl)ethenyl]xanthen-9-one
CID 174928168

Frequently Asked Questions

What is the IUPAC name of carbon dioxide;9-oxoxanthene-3-carboxylic acid?
The IUPAC name of carbon dioxide;9-oxoxanthene-3-carboxylic acid (CID 158563906) is carbon dioxide;9-oxoxanthene-3-carboxylic acid.
What is the SMILES notation for carbon dioxide;9-oxoxanthene-3-carboxylic acid?
The canonical SMILES for carbon dioxide;9-oxoxanthene-3-carboxylic acid is O=C(O)c1ccc2c(=O)c3ccccc3oc2c1.O=C=O.
What is the InChIKey of carbon dioxide;9-oxoxanthene-3-carboxylic acid?
The InChIKey is HRFQDYFFRVCIHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8O4.CO2/c15-13-9-3-1-2-4-11(9)18-12-7-8(14(16)17)5-6-10(12)13;2-1-3/h1-7H,(H,16,17);.
What are the key properties of carbon dioxide;9-oxoxanthene-3-carboxylic acid?
carbon dioxide;9-oxoxanthene-3-carboxylic acid has a molecular weight of 284.22 g/mol, XLogP of 2.06, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for carbon dioxide;9-oxoxanthene-3-carboxylic acid is sourced from PubChem (CID 158563906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).