8-hydroxy-1-oxoisochromene-4-carboxylic acid

C10H6O5 — CID 5375809

IUPAC8-hydroxy-1-oxoisochromene-4-carboxylic acid
SMILESO=C(O)c1coc(=O)c2c(O)cccc12
InChIInChI=1S/C10H6O5/c11-7-3-1-2-5-6(9(12)13)4-15-10(14)8(5)7/h1-4,11H,(H,12,13)
InChIKeyOQXHZEJXRLFWKC-UHFFFAOYSA-N
MW206.15 g/mol
LogP1.20
Rot. Bonds1

About 8-hydroxy-1-oxoisochromene-4-carboxylic acid

8-hydroxy-1-oxoisochromene-4-carboxylic acid (PubChem CID 5375809) has the molecular formula C10H6O5 and a molecular weight of 206.15 g/mol. Its IUPAC name is 8-hydroxy-1-oxoisochromene-4-carboxylic acid.

Molecular Properties

Compound Name8-hydroxy-1-oxoisochromene-4-carboxylic acid
PubChem CID5375809
Molecular FormulaC10H6O5
Molecular Weight206.15 g/mol
Exact Mass206.02
IUPAC Name8-hydroxy-1-oxoisochromene-4-carboxylic acid
SMILESO=C(O)c1coc(=O)c2c(O)cccc12
InChIInChI=1S/C10H6O5/c11-7-3-1-2-5-6(9(12)13)4-15-10(14)8(5)7/h1-4,11H,(H,12,13)
InChIKeyOQXHZEJXRLFWKC-UHFFFAOYSA-N
XLogP1.20
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.15
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5,8-dihydroxynaphthalene-1-carboxylic acid
CID 68625233
7-(aminomethyl)-1-benzofuran-3-carboxylic acid
CID 84771746
5-hydroxy-2-oxochromene-3-carboxylic acid
CID 91664855
cerium;tris(naphthalene-1,5-dicarboxylic acid)
CID 162353954
6-oxobenzo[c]chromene-7-carboxylic acid
CID 14083219
5,6,7,8-tetrahydroxynaphthalene-1-carboxylic acid
CID 176912348
CID 68890208
CID 68890208
8-chloro-5-hydroxynaphthalene-1-carboxylic acid
CID 139711349
3-methyl-1-benzofuran-7-carboxylic acid
CID 15643781
3-oxo-1H-2,1-benzoxazole-7-carboxylic acid
CID 105437801
8-fluoro-4-hydroxynaphthalene-1-carboxylic acid
CID 115024417
4,5,8-trihydroxynaphthalene-1-carboxylic acid
CID 139775362

Frequently Asked Questions

What is the IUPAC name of 8-hydroxy-1-oxoisochromene-4-carboxylic acid?
The IUPAC name of 8-hydroxy-1-oxoisochromene-4-carboxylic acid (CID 5375809) is 8-hydroxy-1-oxoisochromene-4-carboxylic acid.
What is the SMILES notation for 8-hydroxy-1-oxoisochromene-4-carboxylic acid?
The canonical SMILES for 8-hydroxy-1-oxoisochromene-4-carboxylic acid is O=C(O)c1coc(=O)c2c(O)cccc12.
What is the InChIKey of 8-hydroxy-1-oxoisochromene-4-carboxylic acid?
The InChIKey is OQXHZEJXRLFWKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6O5/c11-7-3-1-2-5-6(9(12)13)4-15-10(14)8(5)7/h1-4,11H,(H,12,13).
What are the key properties of 8-hydroxy-1-oxoisochromene-4-carboxylic acid?
8-hydroxy-1-oxoisochromene-4-carboxylic acid has a molecular weight of 206.15 g/mol, XLogP of 1.20, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-hydroxy-1-oxoisochromene-4-carboxylic acid is sourced from PubChem (CID 5375809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).