[4-[hydroxy(oxido)amino]phenyl] formate

C7H6NO4- — CID 89338382

IUPAC[4-[hydroxy(oxido)amino]phenyl] formate
SMILESO=COc1ccc(N([O-])O)cc1
InChIInChI=1S/C7H6NO4/c9-5-12-7-3-1-6(2-4-7)8(10)11/h1-5,10H/q-1
InChIKeyMFNLQMCHRPOXPG-UHFFFAOYSA-N
MW168.13 g/mol
LogP0.92
Rot. Bonds3

About [4-[hydroxy(oxido)amino]phenyl] formate

[4-[hydroxy(oxido)amino]phenyl] formate (PubChem CID 89338382) has the molecular formula C7H6NO4- and a molecular weight of 168.13 g/mol. Its IUPAC name is [4-[hydroxy(oxido)amino]phenyl] formate.

Molecular Properties

Compound Name[4-[hydroxy(oxido)amino]phenyl] formate
PubChem CID89338382
Molecular FormulaC7H6NO4-
Molecular Weight168.13 g/mol
Exact Mass168.03
IUPAC Name[4-[hydroxy(oxido)amino]phenyl] formate
SMILESO=COc1ccc(N([O-])O)cc1
InChIInChI=1S/C7H6NO4/c9-5-12-7-3-1-6(2-4-7)8(10)11/h1-5,10H/q-1
InChIKeyMFNLQMCHRPOXPG-UHFFFAOYSA-N
XLogP0.92
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.13
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', '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 [4-[hydroxy(oxido)amino]phenyl] formate?
The IUPAC name of [4-[hydroxy(oxido)amino]phenyl] formate (CID 89338382) is [4-[hydroxy(oxido)amino]phenyl] formate.
What is the SMILES notation for [4-[hydroxy(oxido)amino]phenyl] formate?
The canonical SMILES for [4-[hydroxy(oxido)amino]phenyl] formate is O=COc1ccc(N([O-])O)cc1.
What is the InChIKey of [4-[hydroxy(oxido)amino]phenyl] formate?
The InChIKey is MFNLQMCHRPOXPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6NO4/c9-5-12-7-3-1-6(2-4-7)8(10)11/h1-5,10H/q-1.
What are the key properties of [4-[hydroxy(oxido)amino]phenyl] formate?
[4-[hydroxy(oxido)amino]phenyl] formate has a molecular weight of 168.13 g/mol, XLogP of 0.92, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[hydroxy(oxido)amino]phenyl] formate is sourced from PubChem (CID 89338382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).