CID 70491549

C6H7AlO2 — CID 70491549

IUPAC—
SMILESO.[Al]Oc1ccccc1
InChIInChI=1S/C6H6O.Al.H2O/c7-6-4-2-1-3-5-6;;/h1-5,7H;;1H2/q;+1;/p-1
InChIKeyHEEXSRRKTDKGAS-UHFFFAOYSA-M
MW138.10 g/mol
LogP0.32
Rot. Bonds1

About CID 70491549

CID 70491549 (PubChem CID 70491549) has the molecular formula C6H7AlO2 and a molecular weight of 138.10 g/mol.

Molecular Properties

Compound NameCID 70491549
PubChem CID70491549
Molecular FormulaC6H7AlO2
Molecular Weight138.10 g/mol
Exact Mass138.03
IUPAC Name—
SMILESO.[Al]Oc1ccccc1
InChIInChI=1S/C6H6O.Al.H2O/c7-6-4-2-1-3-5-6;;/h1-5,7H;;1H2/q;+1;/p-1
InChIKeyHEEXSRRKTDKGAS-UHFFFAOYSA-M
XLogP0.32
TPSA40.73 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.10
LogP ≤ 50.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of CID 70491549?
The IUPAC name of CID 70491549 (CID 70491549) is not available.
What is the SMILES notation for CID 70491549?
The canonical SMILES for CID 70491549 is O.[Al]Oc1ccccc1.
What is the InChIKey of CID 70491549?
The InChIKey is HEEXSRRKTDKGAS-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H6O.Al.H2O/c7-6-4-2-1-3-5-6;;/h1-5,7H;;1H2/q;+1;/p-1.
What are the key properties of CID 70491549?
CID 70491549 has a molecular weight of 138.10 g/mol, XLogP of 0.32, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 70491549 is sourced from PubChem (CID 70491549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).