3-amino-6-hydroxy-2H-1-benzofuran-3-carboxylic acid

C9H9NO4 — CID 24701261

IUPAC3-amino-6-hydroxy-2H-1-benzofuran-3-carboxylic acid
SMILESNC1(C(=O)O)COc2cc(O)ccc21
InChIInChI=1S/C9H9NO4/c10-9(8(12)13)4-14-7-3-5(11)1-2-6(7)9/h1-3,11H,4,10H2,(H,12,13)
InChIKeyAWWQSYUJWLGQQQ-UHFFFAOYSA-N
MW195.17 g/mol
LogP0.02
Rot. Bonds1

About 3-amino-6-hydroxy-2H-1-benzofuran-3-carboxylic acid

3-amino-6-hydroxy-2H-1-benzofuran-3-carboxylic acid (PubChem CID 24701261) has the molecular formula C9H9NO4 and a molecular weight of 195.17 g/mol. Its IUPAC name is 3-amino-6-hydroxy-2H-1-benzofuran-3-carboxylic acid.

Molecular Properties

Compound Name3-amino-6-hydroxy-2H-1-benzofuran-3-carboxylic acid
PubChem CID24701261
Molecular FormulaC9H9NO4
Molecular Weight195.17 g/mol
Exact Mass195.05
IUPAC Name3-amino-6-hydroxy-2H-1-benzofuran-3-carboxylic acid
SMILESNC1(C(=O)O)COc2cc(O)ccc21
InChIInChI=1S/C9H9NO4/c10-9(8(12)13)4-14-7-3-5(11)1-2-6(7)9/h1-3,11H,4,10H2,(H,12,13)
InChIKeyAWWQSYUJWLGQQQ-UHFFFAOYSA-N
XLogP0.02
TPSA92.78 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.17
LogP ≤ 50.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-6-hydroxy-2H-1-benzofuran-3-carboxylic acid?
The IUPAC name of 3-amino-6-hydroxy-2H-1-benzofuran-3-carboxylic acid (CID 24701261) is 3-amino-6-hydroxy-2H-1-benzofuran-3-carboxylic acid.
What is the SMILES notation for 3-amino-6-hydroxy-2H-1-benzofuran-3-carboxylic acid?
The canonical SMILES for 3-amino-6-hydroxy-2H-1-benzofuran-3-carboxylic acid is NC1(C(=O)O)COc2cc(O)ccc21.
What is the InChIKey of 3-amino-6-hydroxy-2H-1-benzofuran-3-carboxylic acid?
The InChIKey is AWWQSYUJWLGQQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO4/c10-9(8(12)13)4-14-7-3-5(11)1-2-6(7)9/h1-3,11H,4,10H2,(H,12,13).
What are the key properties of 3-amino-6-hydroxy-2H-1-benzofuran-3-carboxylic acid?
3-amino-6-hydroxy-2H-1-benzofuran-3-carboxylic acid has a molecular weight of 195.17 g/mol, XLogP of 0.02, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-hydroxy-2H-1-benzofuran-3-carboxylic acid is sourced from PubChem (CID 24701261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).