(2Z)-2-hydroxyimino-3-(2-nitrophenyl)propanoic acid

C9H8N2O5 — CID 6400570

IUPAC(2Z)-2-hydroxyimino-3-(2-nitrophenyl)propanoic acid
SMILESO=C(O)/C(Cc1ccccc1[N+](=O)[O-])=N\O
InChIInChI=1S/C9H8N2O5/c12-9(13)7(10-14)5-6-3-1-2-4-8(6)11(15)16/h1-4,14H,5H2,(H,12,13)/b10-7-
InChIKeyRSAXUEMHVKBRSZ-YFHOEESVSA-N
MW224.17 g/mol
LogP1.05
Rot. Bonds4

About (2Z)-2-hydroxyimino-3-(2-nitrophenyl)propanoic acid

(2Z)-2-hydroxyimino-3-(2-nitrophenyl)propanoic acid (PubChem CID 6400570) has the molecular formula C9H8N2O5 and a molecular weight of 224.17 g/mol. Its IUPAC name is (2Z)-2-hydroxyimino-3-(2-nitrophenyl)propanoic acid.

Molecular Properties

Compound Name(2Z)-2-hydroxyimino-3-(2-nitrophenyl)propanoic acid
PubChem CID6400570
Molecular FormulaC9H8N2O5
Molecular Weight224.17 g/mol
Exact Mass224.04
IUPAC Name(2Z)-2-hydroxyimino-3-(2-nitrophenyl)propanoic acid
SMILESO=C(O)/C(Cc1ccccc1[N+](=O)[O-])=N\O
InChIInChI=1S/C9H8N2O5/c12-9(13)7(10-14)5-6-3-1-2-4-8(6)11(15)16/h1-4,14H,5H2,(H,12,13)/b10-7-
InChIKeyRSAXUEMHVKBRSZ-YFHOEESVSA-N
XLogP1.05
TPSA113.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.17
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', '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 (2Z)-2-hydroxyimino-3-(2-nitrophenyl)propanoic acid?
The IUPAC name of (2Z)-2-hydroxyimino-3-(2-nitrophenyl)propanoic acid (CID 6400570) is (2Z)-2-hydroxyimino-3-(2-nitrophenyl)propanoic acid.
What is the SMILES notation for (2Z)-2-hydroxyimino-3-(2-nitrophenyl)propanoic acid?
The canonical SMILES for (2Z)-2-hydroxyimino-3-(2-nitrophenyl)propanoic acid is O=C(O)/C(Cc1ccccc1[N+](=O)[O-])=N\O.
What is the InChIKey of (2Z)-2-hydroxyimino-3-(2-nitrophenyl)propanoic acid?
The InChIKey is RSAXUEMHVKBRSZ-YFHOEESVSA-N. The full InChI is InChI=1S/C9H8N2O5/c12-9(13)7(10-14)5-6-3-1-2-4-8(6)11(15)16/h1-4,14H,5H2,(H,12,13)/b10-7-.
What are the key properties of (2Z)-2-hydroxyimino-3-(2-nitrophenyl)propanoic acid?
(2Z)-2-hydroxyimino-3-(2-nitrophenyl)propanoic acid has a molecular weight of 224.17 g/mol, XLogP of 1.05, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-hydroxyimino-3-(2-nitrophenyl)propanoic acid is sourced from PubChem (CID 6400570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).