benzoic acid;nitrosobenzene;yttrium

C13H9NO3Y-2 — CID 155936497

IUPACbenzoic acid;nitrosobenzene;yttrium
SMILESO=C(O)c1[c-]cccc1.O=Nc1[c-]cccc1.[Y]
InChIInChI=1S/C7H5O2.C6H4NO.Y/c8-7(9)6-4-2-1-3-5-6;8-7-6-4-2-1-3-5-6;/h1-4H,(H,8,9);1-4H;/q2*-1;
InChIKeyFFTVBUSFBBFQTG-UHFFFAOYSA-N
MW316.13 g/mol
LogP3.07
Rot. Bonds2

About benzoic acid;nitrosobenzene;yttrium

benzoic acid;nitrosobenzene;yttrium (PubChem CID 155936497) has the molecular formula C13H9NO3Y-2 and a molecular weight of 316.13 g/mol. Its IUPAC name is benzoic acid;nitrosobenzene;yttrium.

Molecular Properties

Compound Namebenzoic acid;nitrosobenzene;yttrium
PubChem CID155936497
Molecular FormulaC13H9NO3Y-2
Molecular Weight316.13 g/mol
Exact Mass315.97
IUPAC Namebenzoic acid;nitrosobenzene;yttrium
SMILESO=C(O)c1[c-]cccc1.O=Nc1[c-]cccc1.[Y]
InChIInChI=1S/C7H5O2.C6H4NO.Y/c8-7(9)6-4-2-1-3-5-6;8-7-6-4-2-1-3-5-6;/h1-4H,(H,8,9);1-4H;/q2*-1;
InChIKeyFFTVBUSFBBFQTG-UHFFFAOYSA-N
XLogP3.07
TPSA66.73 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.13
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of benzoic acid;nitrosobenzene;yttrium?
The IUPAC name of benzoic acid;nitrosobenzene;yttrium (CID 155936497) is benzoic acid;nitrosobenzene;yttrium.
What is the SMILES notation for benzoic acid;nitrosobenzene;yttrium?
The canonical SMILES for benzoic acid;nitrosobenzene;yttrium is O=C(O)c1[c-]cccc1.O=Nc1[c-]cccc1.[Y].
What is the InChIKey of benzoic acid;nitrosobenzene;yttrium?
The InChIKey is FFTVBUSFBBFQTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5O2.C6H4NO.Y/c8-7(9)6-4-2-1-3-5-6;8-7-6-4-2-1-3-5-6;/h1-4H,(H,8,9);1-4H;/q2*-1;.
What are the key properties of benzoic acid;nitrosobenzene;yttrium?
benzoic acid;nitrosobenzene;yttrium has a molecular weight of 316.13 g/mol, XLogP of 3.07, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzoic acid;nitrosobenzene;yttrium is sourced from PubChem (CID 155936497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).