acetic acid;N-(2-nitrosophenyl)hydroxylamine

C10H14N2O6 — CID 160560764

IUPACacetic acid;N-(2-nitrosophenyl)hydroxylamine
SMILESCC(=O)O.CC(=O)O.O=Nc1ccccc1NO
InChIInChI=1S/C6H6N2O2.2C2H4O2/c9-7-5-3-1-2-4-6(5)8-10;2*1-2(3)4/h1-4,7,9H;2*1H3,(H,3,4)
InChIKeyQKONGKLUGVPPSV-UHFFFAOYSA-N
MW258.23 g/mol
LogP2.07
Rot. Bonds2

About acetic acid;N-(2-nitrosophenyl)hydroxylamine

acetic acid;N-(2-nitrosophenyl)hydroxylamine (PubChem CID 160560764) has the molecular formula C10H14N2O6 and a molecular weight of 258.23 g/mol. Its IUPAC name is acetic acid;N-(2-nitrosophenyl)hydroxylamine.

Molecular Properties

Compound Nameacetic acid;N-(2-nitrosophenyl)hydroxylamine
PubChem CID160560764
Molecular FormulaC10H14N2O6
Molecular Weight258.23 g/mol
Exact Mass258.09
IUPAC Nameacetic acid;N-(2-nitrosophenyl)hydroxylamine
SMILESCC(=O)O.CC(=O)O.O=Nc1ccccc1NO
InChIInChI=1S/C6H6N2O2.2C2H4O2/c9-7-5-3-1-2-4-6(5)8-10;2*1-2(3)4/h1-4,7,9H;2*1H3,(H,3,4)
InChIKeyQKONGKLUGVPPSV-UHFFFAOYSA-N
XLogP2.07
TPSA136.29 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.23
LogP ≤ 52.07
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(2-nitrosophenyl)hydroxylamine;zinc
CID 87066899
methyl N-(2-nitrosophenyl)carbamate
CID 45122951
N-[2-nitroso-5-[(E)-2-phenylethenyl]phenyl]hydroxylamine
CID 53321888
1-(2-nitrosophenyl)-2-phenylhydrazine;hydrochloride
CID 21150386
3-(hydroxyamino)-2-nitrosobenzoic acid
CID 91620937
ethane;(E)-3-[2-(hydroxyamino)phenyl]prop-2-enoic acid
CID 142952624
N-[2-(methylideneamino)phenyl]acetamide
CID 134593356
2-methyl-2-(2-nitrosophenyl)propanoic acid
CID 130121803
acetic acid;1,2-bis(2-methylphenyl)guanidine
CID 160854655
2-(2-hydroxyanilino)-6-nitrosophenol
CID 139980518
acetic acid;stilbene
CID 172803728
3-[2-(1-carboxypropan-2-ylideneamino)phenyl]iminobutanoic acid
CID 91325310

Frequently Asked Questions

What is the IUPAC name of acetic acid;N-(2-nitrosophenyl)hydroxylamine?
The IUPAC name of acetic acid;N-(2-nitrosophenyl)hydroxylamine (CID 160560764) is acetic acid;N-(2-nitrosophenyl)hydroxylamine.
What is the SMILES notation for acetic acid;N-(2-nitrosophenyl)hydroxylamine?
The canonical SMILES for acetic acid;N-(2-nitrosophenyl)hydroxylamine is CC(=O)O.CC(=O)O.O=Nc1ccccc1NO.
What is the InChIKey of acetic acid;N-(2-nitrosophenyl)hydroxylamine?
The InChIKey is QKONGKLUGVPPSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N2O2.2C2H4O2/c9-7-5-3-1-2-4-6(5)8-10;2*1-2(3)4/h1-4,7,9H;2*1H3,(H,3,4).
What are the key properties of acetic acid;N-(2-nitrosophenyl)hydroxylamine?
acetic acid;N-(2-nitrosophenyl)hydroxylamine has a molecular weight of 258.23 g/mol, XLogP of 2.07, 2 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;N-(2-nitrosophenyl)hydroxylamine is sourced from PubChem (CID 160560764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).