7-hydroxy-1,2-benzoxazole-3-carboxylic acid

C8H5NO4 — CID 84656727

IUPAC7-hydroxy-1,2-benzoxazole-3-carboxylic acid
SMILESO=C(O)c1noc2c(O)cccc12
InChIInChI=1S/C8H5NO4/c10-5-3-1-2-4-6(8(11)12)9-13-7(4)5/h1-3,10H,(H,11,12)
InChIKeyXCGFZYCBEYCVQN-UHFFFAOYSA-N
MW179.13 g/mol
LogP1.23
Rot. Bonds1

About 7-hydroxy-1,2-benzoxazole-3-carboxylic acid

7-hydroxy-1,2-benzoxazole-3-carboxylic acid (PubChem CID 84656727) has the molecular formula C8H5NO4 and a molecular weight of 179.13 g/mol. Its IUPAC name is 7-hydroxy-1,2-benzoxazole-3-carboxylic acid.

Molecular Properties

Compound Name7-hydroxy-1,2-benzoxazole-3-carboxylic acid
PubChem CID84656727
Molecular FormulaC8H5NO4
Molecular Weight179.13 g/mol
Exact Mass179.02
IUPAC Name7-hydroxy-1,2-benzoxazole-3-carboxylic acid
SMILESO=C(O)c1noc2c(O)cccc12
InChIInChI=1S/C8H5NO4/c10-5-3-1-2-4-6(8(11)12)9-13-7(4)5/h1-3,10H,(H,11,12)
InChIKeyXCGFZYCBEYCVQN-UHFFFAOYSA-N
XLogP1.23
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.13
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-1,2-benzoxazole-3-carboxylic acid?
The IUPAC name of 7-hydroxy-1,2-benzoxazole-3-carboxylic acid (CID 84656727) is 7-hydroxy-1,2-benzoxazole-3-carboxylic acid.
What is the SMILES notation for 7-hydroxy-1,2-benzoxazole-3-carboxylic acid?
The canonical SMILES for 7-hydroxy-1,2-benzoxazole-3-carboxylic acid is O=C(O)c1noc2c(O)cccc12.
What is the InChIKey of 7-hydroxy-1,2-benzoxazole-3-carboxylic acid?
The InChIKey is XCGFZYCBEYCVQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5NO4/c10-5-3-1-2-4-6(8(11)12)9-13-7(4)5/h1-3,10H,(H,11,12).
What are the key properties of 7-hydroxy-1,2-benzoxazole-3-carboxylic acid?
7-hydroxy-1,2-benzoxazole-3-carboxylic acid has a molecular weight of 179.13 g/mol, XLogP of 1.23, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-1,2-benzoxazole-3-carboxylic acid is sourced from PubChem (CID 84656727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).