CID 174940439

C7H6AlO4 — CID 174940439

IUPAC—
SMILESO=C(O)c1ccccc1O.O=[Al]
InChIInChI=1S/C7H6O3.Al.O/c8-6-4-2-1-3-5(6)7(9)10;;/h1-4,8H,(H,9,10);;
InChIKeySRFCZSNUNDDPJH-UHFFFAOYSA-N
MW181.10 g/mol
LogP0.59
Rot. Bonds1

About CID 174940439

CID 174940439 (PubChem CID 174940439) has the molecular formula C7H6AlO4 and a molecular weight of 181.10 g/mol.

Molecular Properties

Compound NameCID 174940439
PubChem CID174940439
Molecular FormulaC7H6AlO4
Molecular Weight181.10 g/mol
Exact Mass181.01
IUPAC Name—
SMILESO=C(O)c1ccccc1O.O=[Al]
InChIInChI=1S/C7H6O3.Al.O/c8-6-4-2-1-3-5(6)7(9)10;;/h1-4,8H,(H,9,10);;
InChIKeySRFCZSNUNDDPJH-UHFFFAOYSA-N
XLogP0.59
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.10
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of CID 174940439?
The IUPAC name of CID 174940439 (CID 174940439) is not available.
What is the SMILES notation for CID 174940439?
The canonical SMILES for CID 174940439 is O=C(O)c1ccccc1O.O=[Al].
What is the InChIKey of CID 174940439?
The InChIKey is SRFCZSNUNDDPJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6O3.Al.O/c8-6-4-2-1-3-5(6)7(9)10;;/h1-4,8H,(H,9,10);;.
What are the key properties of CID 174940439?
CID 174940439 has a molecular weight of 181.10 g/mol, XLogP of 0.59, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174940439 is sourced from PubChem (CID 174940439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).