CID 11034032

C12H9MnO6 — CID 11034032

IUPAC—
SMILESO=C[C]1[CH][CH][CH][C]1C1OCCO1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Mn]
InChIInChI=1S/C9H9O3.3CO.Mn/c10-6-7-2-1-3-8(7)9-11-4-5-12-9;3*1-2;/h1-3,6,9H,4-5H2;;;;
InChIKeyAEESDFZSPRFHPS-UHFFFAOYSA-N
MW304.14 g/mol
LogP0.22
Rot. Bonds2

About CID 11034032

CID 11034032 (PubChem CID 11034032) has the molecular formula C12H9MnO6 and a molecular weight of 304.14 g/mol.

Molecular Properties

Compound NameCID 11034032
PubChem CID11034032
Molecular FormulaC12H9MnO6
Molecular Weight304.14 g/mol
Exact Mass303.98
IUPAC Name—
SMILESO=C[C]1[CH][CH][CH][C]1C1OCCO1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Mn]
InChIInChI=1S/C9H9O3.3CO.Mn/c10-6-7-2-1-3-8(7)9-11-4-5-12-9;3*1-2;/h1-3,6,9H,4-5H2;;;;
InChIKeyAEESDFZSPRFHPS-UHFFFAOYSA-N
XLogP0.22
TPSA95.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.14
LogP ≤ 50.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 11034032?
The IUPAC name of CID 11034032 (CID 11034032) is not available.
What is the SMILES notation for CID 11034032?
The canonical SMILES for CID 11034032 is O=C[C]1[CH][CH][CH][C]1C1OCCO1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Mn].
What is the InChIKey of CID 11034032?
The InChIKey is AEESDFZSPRFHPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9O3.3CO.Mn/c10-6-7-2-1-3-8(7)9-11-4-5-12-9;3*1-2;/h1-3,6,9H,4-5H2;;;;.
What are the key properties of CID 11034032?
CID 11034032 has a molecular weight of 304.14 g/mol, XLogP of 0.22, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 11034032 is sourced from PubChem (CID 11034032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).