CID 58621336

C10H12AlNO3 — CID 58621336

IUPAC—
SMILESCCCc1cc(OC)cc(C(=O)O[Al])n1
InChIInChI=1S/C10H13NO3.Al/c1-3-4-7-5-8(14-2)6-9(11-7)10(12)13;/h5-6H,3-4H2,1-2H3,(H,12,13);/q;+1/p-1
InChIKeyHGLJPCJUUGJXPZ-UHFFFAOYSA-M
MW221.19 g/mol
LogP1.28
Rot. Bonds4

About CID 58621336

CID 58621336 (PubChem CID 58621336) has the molecular formula C10H12AlNO3 and a molecular weight of 221.19 g/mol.

Molecular Properties

Compound NameCID 58621336
PubChem CID58621336
Molecular FormulaC10H12AlNO3
Molecular Weight221.19 g/mol
Exact Mass221.06
IUPAC Name—
SMILESCCCc1cc(OC)cc(C(=O)O[Al])n1
InChIInChI=1S/C10H13NO3.Al/c1-3-4-7-5-8(14-2)6-9(11-7)10(12)13;/h5-6H,3-4H2,1-2H3,(H,12,13);/q;+1/p-1
InChIKeyHGLJPCJUUGJXPZ-UHFFFAOYSA-M
XLogP1.28
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.19
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of CID 58621336?
The IUPAC name of CID 58621336 (CID 58621336) is not available.
What is the SMILES notation for CID 58621336?
The canonical SMILES for CID 58621336 is CCCc1cc(OC)cc(C(=O)O[Al])n1.
What is the InChIKey of CID 58621336?
The InChIKey is HGLJPCJUUGJXPZ-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H13NO3.Al/c1-3-4-7-5-8(14-2)6-9(11-7)10(12)13;/h5-6H,3-4H2,1-2H3,(H,12,13);/q;+1/p-1.
What are the key properties of CID 58621336?
CID 58621336 has a molecular weight of 221.19 g/mol, XLogP of 1.28, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58621336 is sourced from PubChem (CID 58621336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).