3-nitrosocyclohexa-3,5-diene-1,2-diol

C6H7NO3 — CID 89094373

IUPAC3-nitrosocyclohexa-3,5-diene-1,2-diol
SMILESO=NC1=CC=CC(O)C1O
InChIInChI=1S/C6H7NO3/c8-5-3-1-2-4(7-10)6(5)9/h1-3,5-6,8-9H
InChIKeyJPGBMKBFMRTXEZ-UHFFFAOYSA-N
MW141.13 g/mol
LogP-0.07
Rot. Bonds1

About 3-nitrosocyclohexa-3,5-diene-1,2-diol

3-nitrosocyclohexa-3,5-diene-1,2-diol (PubChem CID 89094373) has the molecular formula C6H7NO3 and a molecular weight of 141.13 g/mol. Its IUPAC name is 3-nitrosocyclohexa-3,5-diene-1,2-diol.

Molecular Properties

Compound Name3-nitrosocyclohexa-3,5-diene-1,2-diol
PubChem CID89094373
Molecular FormulaC6H7NO3
Molecular Weight141.13 g/mol
Exact Mass141.04
IUPAC Name3-nitrosocyclohexa-3,5-diene-1,2-diol
SMILESO=NC1=CC=CC(O)C1O
InChIInChI=1S/C6H7NO3/c8-5-3-1-2-4(7-10)6(5)9/h1-3,5-6,8-9H
InChIKeyJPGBMKBFMRTXEZ-UHFFFAOYSA-N
XLogP-0.07
TPSA69.89 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.13
LogP ≤ 5-0.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-nitrosocyclohexa-3,5-diene-1,2-diol?
The IUPAC name of 3-nitrosocyclohexa-3,5-diene-1,2-diol (CID 89094373) is 3-nitrosocyclohexa-3,5-diene-1,2-diol.
What is the SMILES notation for 3-nitrosocyclohexa-3,5-diene-1,2-diol?
The canonical SMILES for 3-nitrosocyclohexa-3,5-diene-1,2-diol is O=NC1=CC=CC(O)C1O.
What is the InChIKey of 3-nitrosocyclohexa-3,5-diene-1,2-diol?
The InChIKey is JPGBMKBFMRTXEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NO3/c8-5-3-1-2-4(7-10)6(5)9/h1-3,5-6,8-9H.
What are the key properties of 3-nitrosocyclohexa-3,5-diene-1,2-diol?
3-nitrosocyclohexa-3,5-diene-1,2-diol has a molecular weight of 141.13 g/mol, XLogP of -0.07, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-nitrosocyclohexa-3,5-diene-1,2-diol is sourced from PubChem (CID 89094373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).