nitrooxysulfonylformic acid

CHNO7S — CID 149152005

IUPACnitrooxysulfonylformic acid
SMILESO=C(O)S(=O)(=O)O[N+](=O)[O-]
InChIInChI=1S/CHNO7S/c3-1(4)10(7,8)9-2(5)6/h(H,3,4)
InChIKeyQXRYRVXNTQNMQL-UHFFFAOYSA-N
MW171.09 g/mol
LogP-0.80
Rot. Bonds2

About nitrooxysulfonylformic acid

nitrooxysulfonylformic acid (PubChem CID 149152005) has the molecular formula CHNO7S and a molecular weight of 171.09 g/mol. Its IUPAC name is nitrooxysulfonylformic acid.

Molecular Properties

Compound Namenitrooxysulfonylformic acid
PubChem CID149152005
Molecular FormulaCHNO7S
Molecular Weight171.09 g/mol
Exact Mass170.95
IUPAC Namenitrooxysulfonylformic acid
SMILESO=C(O)S(=O)(=O)O[N+](=O)[O-]
InChIInChI=1S/CHNO7S/c3-1(4)10(7,8)9-2(5)6/h(H,3,4)
InChIKeyQXRYRVXNTQNMQL-UHFFFAOYSA-N
XLogP-0.80
TPSA123.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.09
LogP ≤ 5-0.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

nitramidooxysulfonylformic acid
CID 152650604
nitro sulfate;palladium
CID 173357029
nitro hydrogen sulfate;silver
CID 174582491
dilithium;hydride;nitric acid;oxalic acid
CID 173422788
nitro 2-aminoethanesulfonate
CID 87409443
nitro prop-2-ene-1-sulfonate
CID 174788650
hydrogen peroxide;nitric acid
CID 22590704
oxalic acid;palladium;nitrate
CID 87788408
sodium;sulfuric acid;nitrate
CID 131742416
potassium;sulfuric acid;nitrate
CID 23434685
carbonic acid;methane;nitric acid
CID 172861779
carbonic acid;cerium;nitric acid
CID 174736285

Frequently Asked Questions

What is the IUPAC name of nitrooxysulfonylformic acid?
The IUPAC name of nitrooxysulfonylformic acid (CID 149152005) is nitrooxysulfonylformic acid.
What is the SMILES notation for nitrooxysulfonylformic acid?
The canonical SMILES for nitrooxysulfonylformic acid is O=C(O)S(=O)(=O)O[N+](=O)[O-].
What is the InChIKey of nitrooxysulfonylformic acid?
The InChIKey is QXRYRVXNTQNMQL-UHFFFAOYSA-N. The full InChI is InChI=1S/CHNO7S/c3-1(4)10(7,8)9-2(5)6/h(H,3,4).
What are the key properties of nitrooxysulfonylformic acid?
nitrooxysulfonylformic acid has a molecular weight of 171.09 g/mol, XLogP of -0.80, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for nitrooxysulfonylformic acid is sourced from PubChem (CID 149152005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).