CID 163438639

C2H9AlNO5 — CID 163438639

IUPAC—
SMILESCO[Al]ON(O)OC.O
InChIInChI=1S/CH4NO3.CH3O.Al.H2O/c1-5-2(3)4;1-2;;/h3H,1H3;1H3;;1H2/q2*-1;+2;
InChIKeyHRUFNEHQCCHHHB-UHFFFAOYSA-N
MW154.08 g/mol
LogP-1.47
Rot. Bonds4

About CID 163438639

CID 163438639 (PubChem CID 163438639) has the molecular formula C2H9AlNO5 and a molecular weight of 154.08 g/mol.

Molecular Properties

Compound NameCID 163438639
PubChem CID163438639
Molecular FormulaC2H9AlNO5
Molecular Weight154.08 g/mol
Exact Mass154.03
IUPAC Name—
SMILESCO[Al]ON(O)OC.O
InChIInChI=1S/CH4NO3.CH3O.Al.H2O/c1-5-2(3)4;1-2;;/h3H,1H3;1H3;;1H2/q2*-1;+2;
InChIKeyHRUFNEHQCCHHHB-UHFFFAOYSA-N
XLogP-1.47
TPSA82.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.08
LogP ≤ 5-1.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 163438639?
The IUPAC name of CID 163438639 (CID 163438639) is not available.
What is the SMILES notation for CID 163438639?
The canonical SMILES for CID 163438639 is CO[Al]ON(O)OC.O.
What is the InChIKey of CID 163438639?
The InChIKey is HRUFNEHQCCHHHB-UHFFFAOYSA-N. The full InChI is InChI=1S/CH4NO3.CH3O.Al.H2O/c1-5-2(3)4;1-2;;/h3H,1H3;1H3;;1H2/q2*-1;+2;.
What are the key properties of CID 163438639?
CID 163438639 has a molecular weight of 154.08 g/mol, XLogP of -1.47, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 163438639 is sourced from PubChem (CID 163438639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).