2-hydroxyimino-2-(2-hydroxyphenyl)acetic acid

C8H7NO4 — CID 137194840

IUPAC2-hydroxyimino-2-(2-hydroxyphenyl)acetic acid
SMILESO=C(O)C(=NO)c1ccccc1O
InChIInChI=1S/C8H7NO4/c10-6-4-2-1-3-5(6)7(9-13)8(11)12/h1-4,10,13H,(H,11,12)
InChIKeyFARNHBJXTVYCGK-UHFFFAOYSA-N
MW181.15 g/mol
LogP0.66
Rot. Bonds2

About 2-hydroxyimino-2-(2-hydroxyphenyl)acetic acid

2-hydroxyimino-2-(2-hydroxyphenyl)acetic acid (PubChem CID 137194840) has the molecular formula C8H7NO4 and a molecular weight of 181.15 g/mol. Its IUPAC name is 2-hydroxyimino-2-(2-hydroxyphenyl)acetic acid.

Molecular Properties

Compound Name2-hydroxyimino-2-(2-hydroxyphenyl)acetic acid
PubChem CID137194840
Molecular FormulaC8H7NO4
Molecular Weight181.15 g/mol
Exact Mass181.04
IUPAC Name2-hydroxyimino-2-(2-hydroxyphenyl)acetic acid
SMILESO=C(O)C(=NO)c1ccccc1O
InChIInChI=1S/C8H7NO4/c10-6-4-2-1-3-5(6)7(9-13)8(11)12/h1-4,10,13H,(H,11,12)
InChIKeyFARNHBJXTVYCGK-UHFFFAOYSA-N
XLogP0.66
TPSA90.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.15
LogP ≤ 50.66
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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Related Compounds

2-(2-hydroxyphenyl)-2-methoxyiminoacetic acid
CID 135997752
2-hydroxybenzoic acid;nitrous acid
CID 157117402
lithium;2-hydroxybenzoate;oxalic acid
CID 172798390
CID 87183669
CID 87183669
2-hydroxybenzoic acid;hydrobromide
CID 70122828
gadolinium;tris(2-hydroxybenzoic acid)
CID 135122115
chromium;2-hydroxybenzoic acid
CID 87079476
2-hydroxybenzoic acid;praseodymium
CID 87786006
2-hydroxybenzoic acid;bis(yttrium)
CID 20697161
bis(2-hydroxybenzoic acid);sulfane
CID 172742301
2-hydroxybenzoic acid;silver
CID 87326670
strontium;hydride;2-hydroxybenzoic acid
CID 172999910

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyimino-2-(2-hydroxyphenyl)acetic acid?
The IUPAC name of 2-hydroxyimino-2-(2-hydroxyphenyl)acetic acid (CID 137194840) is 2-hydroxyimino-2-(2-hydroxyphenyl)acetic acid.
What is the SMILES notation for 2-hydroxyimino-2-(2-hydroxyphenyl)acetic acid?
The canonical SMILES for 2-hydroxyimino-2-(2-hydroxyphenyl)acetic acid is O=C(O)C(=NO)c1ccccc1O.
What is the InChIKey of 2-hydroxyimino-2-(2-hydroxyphenyl)acetic acid?
The InChIKey is FARNHBJXTVYCGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7NO4/c10-6-4-2-1-3-5(6)7(9-13)8(11)12/h1-4,10,13H,(H,11,12).
What are the key properties of 2-hydroxyimino-2-(2-hydroxyphenyl)acetic acid?
2-hydroxyimino-2-(2-hydroxyphenyl)acetic acid has a molecular weight of 181.15 g/mol, XLogP of 0.66, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyimino-2-(2-hydroxyphenyl)acetic acid is sourced from PubChem (CID 137194840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).