2-hydroxyimino-3-(4-hydroxyphenyl)propanoic acid

C9H9NO4 — CID 72730734

IUPAC2-hydroxyimino-3-(4-hydroxyphenyl)propanoic acid
SMILESO=C(O)C(Cc1ccc(O)cc1)=NO
InChIInChI=1S/C9H9NO4/c11-7-3-1-6(2-4-7)5-8(10-14)9(12)13/h1-4,11,14H,5H2,(H,12,13)
InChIKeyHOSMGQOSNROJPE-UHFFFAOYSA-N
MW195.17 g/mol
LogP0.85
Rot. Bonds3

About 2-hydroxyimino-3-(4-hydroxyphenyl)propanoic acid

2-hydroxyimino-3-(4-hydroxyphenyl)propanoic acid (PubChem CID 72730734) has the molecular formula C9H9NO4 and a molecular weight of 195.17 g/mol. Its IUPAC name is 2-hydroxyimino-3-(4-hydroxyphenyl)propanoic acid.

Molecular Properties

Compound Name2-hydroxyimino-3-(4-hydroxyphenyl)propanoic acid
PubChem CID72730734
Molecular FormulaC9H9NO4
Molecular Weight195.17 g/mol
Exact Mass195.05
IUPAC Name2-hydroxyimino-3-(4-hydroxyphenyl)propanoic acid
SMILESO=C(O)C(Cc1ccc(O)cc1)=NO
InChIInChI=1S/C9H9NO4/c11-7-3-1-6(2-4-7)5-8(10-14)9(12)13/h1-4,11,14H,5H2,(H,12,13)
InChIKeyHOSMGQOSNROJPE-UHFFFAOYSA-N
XLogP0.85
TPSA90.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.17
LogP ≤ 50.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxyimino-3-(4-hydroxyphenyl)propanoic acid?
The IUPAC name of 2-hydroxyimino-3-(4-hydroxyphenyl)propanoic acid (CID 72730734) is 2-hydroxyimino-3-(4-hydroxyphenyl)propanoic acid.
What is the SMILES notation for 2-hydroxyimino-3-(4-hydroxyphenyl)propanoic acid?
The canonical SMILES for 2-hydroxyimino-3-(4-hydroxyphenyl)propanoic acid is O=C(O)C(Cc1ccc(O)cc1)=NO.
What is the InChIKey of 2-hydroxyimino-3-(4-hydroxyphenyl)propanoic acid?
The InChIKey is HOSMGQOSNROJPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO4/c11-7-3-1-6(2-4-7)5-8(10-14)9(12)13/h1-4,11,14H,5H2,(H,12,13).
What are the key properties of 2-hydroxyimino-3-(4-hydroxyphenyl)propanoic acid?
2-hydroxyimino-3-(4-hydroxyphenyl)propanoic acid has a molecular weight of 195.17 g/mol, XLogP of 0.85, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyimino-3-(4-hydroxyphenyl)propanoic acid is sourced from PubChem (CID 72730734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).