nitrous acid;toluene

C7H10N2O4 — CID 156614054

IUPACnitrous acid;toluene
SMILESCc1ccccc1.O=NO.O=NO
InChIInChI=1S/C7H8.2HNO2/c1-7-5-3-2-4-6-7;2*2-1-3/h2-6H,1H3;2*(H,2,3)
InChIKeyZLSGOVJHNMUKTF-UHFFFAOYSA-N
MW186.17 g/mol
LogP2.28
Rot. Bonds

About nitrous acid;toluene

nitrous acid;toluene (PubChem CID 156614054) has the molecular formula C7H10N2O4 and a molecular weight of 186.17 g/mol. Its IUPAC name is nitrous acid;toluene.

Molecular Properties

Compound Namenitrous acid;toluene
PubChem CID156614054
Molecular FormulaC7H10N2O4
Molecular Weight186.17 g/mol
Exact Mass186.06
IUPAC Namenitrous acid;toluene
SMILESCc1ccccc1.O=NO.O=NO
InChIInChI=1S/C7H8.2HNO2/c1-7-5-3-2-4-6-7;2*2-1-3/h2-6H,1H3;2*(H,2,3)
InChIKeyZLSGOVJHNMUKTF-UHFFFAOYSA-N
XLogP2.28
TPSA99.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.17
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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CID 174717666
methanol;titanium;toluene
CID 160815635
oxozinc;toluene
CID 174379116
hydroxysilane;toluene
CID 174524422
toluene;tetrahydrochloride
CID 174345064
iridium;toluene
CID 160574470
toluene;dihydrochloride
CID 66712893
bismuthane;toluene
CID 173370039

Frequently Asked Questions

What is the IUPAC name of nitrous acid;toluene?
The IUPAC name of nitrous acid;toluene (CID 156614054) is nitrous acid;toluene.
What is the SMILES notation for nitrous acid;toluene?
The canonical SMILES for nitrous acid;toluene is Cc1ccccc1.O=NO.O=NO.
What is the InChIKey of nitrous acid;toluene?
The InChIKey is ZLSGOVJHNMUKTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8.2HNO2/c1-7-5-3-2-4-6-7;2*2-1-3/h2-6H,1H3;2*(H,2,3).
What are the key properties of nitrous acid;toluene?
nitrous acid;toluene has a molecular weight of 186.17 g/mol, XLogP of 2.28, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for nitrous acid;toluene is sourced from PubChem (CID 156614054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).