CID 143974471

C9H5AlO2 — CID 143974471

IUPAC—
SMILESO=c1c([Al])coc2ccccc12
InChIInChI=1S/C9H5O2.Al/c10-8-5-6-11-9-4-2-1-3-7(8)9;/h1-4,6H;
InChIKeySCLYUHVKQGESBZ-UHFFFAOYSA-N
MW172.12 g/mol
LogP0.59
Rot. Bonds

About CID 143974471

CID 143974471 (PubChem CID 143974471) has the molecular formula C9H5AlO2 and a molecular weight of 172.12 g/mol.

Molecular Properties

Compound NameCID 143974471
PubChem CID143974471
Molecular FormulaC9H5AlO2
Molecular Weight172.12 g/mol
Exact Mass172.01
IUPAC Name—
SMILESO=c1c([Al])coc2ccccc12
InChIInChI=1S/C9H5O2.Al/c10-8-5-6-11-9-4-2-1-3-7(8)9;/h1-4,6H;
InChIKeySCLYUHVKQGESBZ-UHFFFAOYSA-N
XLogP0.59
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.12
LogP ≤ 50.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of CID 143974471?
The IUPAC name of CID 143974471 (CID 143974471) is not available.
What is the SMILES notation for CID 143974471?
The canonical SMILES for CID 143974471 is O=c1c([Al])coc2ccccc12.
What is the InChIKey of CID 143974471?
The InChIKey is SCLYUHVKQGESBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5O2.Al/c10-8-5-6-11-9-4-2-1-3-7(8)9;/h1-4,6H;.
What are the key properties of CID 143974471?
CID 143974471 has a molecular weight of 172.12 g/mol, XLogP of 0.59, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 143974471 is sourced from PubChem (CID 143974471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).