CID 173388727

C3H13AlNO5 — CID 173388727

IUPAC—
SMILESCCOC(N)=O.O.O.O.[Al]
InChIInChI=1S/C3H7NO2.Al.3H2O/c1-2-6-3(4)5;;;;/h2H2,1H3,(H2,4,5);;3*1H2
InChIKeyHPDNAVRLLBVDHN-UHFFFAOYSA-N
MW170.12 g/mol
LogP-2.75
Rot. Bonds1

About CID 173388727

CID 173388727 (PubChem CID 173388727) has the molecular formula C3H13AlNO5 and a molecular weight of 170.12 g/mol.

Molecular Properties

Compound NameCID 173388727
PubChem CID173388727
Molecular FormulaC3H13AlNO5
Molecular Weight170.12 g/mol
Exact Mass170.06
IUPAC Name—
SMILESCCOC(N)=O.O.O.O.[Al]
InChIInChI=1S/C3H7NO2.Al.3H2O/c1-2-6-3(4)5;;;;/h2H2,1H3,(H2,4,5);;3*1H2
InChIKeyHPDNAVRLLBVDHN-UHFFFAOYSA-N
XLogP-2.75
TPSA146.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.12
LogP ≤ 5-2.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of CID 173388727?
The IUPAC name of CID 173388727 (CID 173388727) is not available.
What is the SMILES notation for CID 173388727?
The canonical SMILES for CID 173388727 is CCOC(N)=O.O.O.O.[Al].
What is the InChIKey of CID 173388727?
The InChIKey is HPDNAVRLLBVDHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7NO2.Al.3H2O/c1-2-6-3(4)5;;;;/h2H2,1H3,(H2,4,5);;3*1H2.
What are the key properties of CID 173388727?
CID 173388727 has a molecular weight of 170.12 g/mol, XLogP of -2.75, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173388727 is sourced from PubChem (CID 173388727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).