CID 174830791

C7H6AlO3 — CID 174830791

IUPAC—
SMILESO=C(O)c1cccc(O)c1.[Al]
InChIInChI=1S/C7H6O3.Al/c8-6-3-1-2-5(4-6)7(9)10;/h1-4,8H,(H,9,10);
InChIKeyQPTZBJGIXWDZKM-UHFFFAOYSA-N
MW165.10 g/mol
LogP0.71
Rot. Bonds1

About CID 174830791

CID 174830791 (PubChem CID 174830791) has the molecular formula C7H6AlO3 and a molecular weight of 165.10 g/mol.

Molecular Properties

Compound NameCID 174830791
PubChem CID174830791
Molecular FormulaC7H6AlO3
Molecular Weight165.10 g/mol
Exact Mass165.01
IUPAC Name—
SMILESO=C(O)c1cccc(O)c1.[Al]
InChIInChI=1S/C7H6O3.Al/c8-6-3-1-2-5(4-6)7(9)10;/h1-4,8H,(H,9,10);
InChIKeyQPTZBJGIXWDZKM-UHFFFAOYSA-N
XLogP0.71
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.10
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of CID 174830791?
The IUPAC name of CID 174830791 (CID 174830791) is not available.
What is the SMILES notation for CID 174830791?
The canonical SMILES for CID 174830791 is O=C(O)c1cccc(O)c1.[Al].
What is the InChIKey of CID 174830791?
The InChIKey is QPTZBJGIXWDZKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6O3.Al/c8-6-3-1-2-5(4-6)7(9)10;/h1-4,8H,(H,9,10);.
What are the key properties of CID 174830791?
CID 174830791 has a molecular weight of 165.10 g/mol, XLogP of 0.71, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174830791 is sourced from PubChem (CID 174830791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).