CID 174724694

C9H6AlO7 — CID 174724694

IUPAC—
SMILESO=C(O)c1ccc(C(=O)O)c(C(=O)O)c1O.[Al]
InChIInChI=1S/C9H6O7.Al/c10-6-4(8(13)14)2-1-3(7(11)12)5(6)9(15)16;/h1-2,10H,(H,11,12)(H,13,14)(H,15,16);
InChIKeyQIKWLHAAQDASAS-UHFFFAOYSA-N
MW253.12 g/mol
LogP0.11
Rot. Bonds3

About CID 174724694

CID 174724694 (PubChem CID 174724694) has the molecular formula C9H6AlO7 and a molecular weight of 253.12 g/mol.

Molecular Properties

Compound NameCID 174724694
PubChem CID174724694
Molecular FormulaC9H6AlO7
Molecular Weight253.12 g/mol
Exact Mass252.99
IUPAC Name—
SMILESO=C(O)c1ccc(C(=O)O)c(C(=O)O)c1O.[Al]
InChIInChI=1S/C9H6O7.Al/c10-6-4(8(13)14)2-1-3(7(11)12)5(6)9(15)16;/h1-2,10H,(H,11,12)(H,13,14)(H,15,16);
InChIKeyQIKWLHAAQDASAS-UHFFFAOYSA-N
XLogP0.11
TPSA132.13 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.12
LogP ≤ 50.11
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of CID 174724694?
The IUPAC name of CID 174724694 (CID 174724694) is not available.
What is the SMILES notation for CID 174724694?
The canonical SMILES for CID 174724694 is O=C(O)c1ccc(C(=O)O)c(C(=O)O)c1O.[Al].
What is the InChIKey of CID 174724694?
The InChIKey is QIKWLHAAQDASAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6O7.Al/c10-6-4(8(13)14)2-1-3(7(11)12)5(6)9(15)16;/h1-2,10H,(H,11,12)(H,13,14)(H,15,16);.
What are the key properties of CID 174724694?
CID 174724694 has a molecular weight of 253.12 g/mol, XLogP of 0.11, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174724694 is sourced from PubChem (CID 174724694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).