iridium;1,3,4,7-tetrahydroisochromen-7-ide-3-carboxylic acid

C10H9IrO3- — CID 169110079

IUPACiridium;1,3,4,7-tetrahydroisochromen-7-ide-3-carboxylic acid
SMILESO=C(O)C1Cc2cc[c-]cc2CO1.[Ir]
InChIInChI=1S/C10H9O3.Ir/c11-10(12)9-5-7-3-1-2-4-8(7)6-13-9;/h1,3-4,9H,5-6H2,(H,11,12);/q-1;
InChIKeyNAOSZXBWTUMJLH-UHFFFAOYSA-N
MW369.40 g/mol
LogP1.01
Rot. Bonds1

About iridium;1,3,4,7-tetrahydroisochromen-7-ide-3-carboxylic acid

iridium;1,3,4,7-tetrahydroisochromen-7-ide-3-carboxylic acid (PubChem CID 169110079) has the molecular formula C10H9IrO3- and a molecular weight of 369.40 g/mol. Its IUPAC name is iridium;1,3,4,7-tetrahydroisochromen-7-ide-3-carboxylic acid.

Molecular Properties

Compound Nameiridium;1,3,4,7-tetrahydroisochromen-7-ide-3-carboxylic acid
PubChem CID169110079
Molecular FormulaC10H9IrO3-
Molecular Weight369.40 g/mol
Exact Mass370.02
IUPAC Nameiridium;1,3,4,7-tetrahydroisochromen-7-ide-3-carboxylic acid
SMILESO=C(O)C1Cc2cc[c-]cc2CO1.[Ir]
InChIInChI=1S/C10H9O3.Ir/c11-10(12)9-5-7-3-1-2-4-8(7)6-13-9;/h1,3-4,9H,5-6H2,(H,11,12);/q-1;
InChIKeyNAOSZXBWTUMJLH-UHFFFAOYSA-N
XLogP1.01
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.40
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of iridium;1,3,4,7-tetrahydroisochromen-7-ide-3-carboxylic acid?
The IUPAC name of iridium;1,3,4,7-tetrahydroisochromen-7-ide-3-carboxylic acid (CID 169110079) is iridium;1,3,4,7-tetrahydroisochromen-7-ide-3-carboxylic acid.
What is the SMILES notation for iridium;1,3,4,7-tetrahydroisochromen-7-ide-3-carboxylic acid?
The canonical SMILES for iridium;1,3,4,7-tetrahydroisochromen-7-ide-3-carboxylic acid is O=C(O)C1Cc2cc[c-]cc2CO1.[Ir].
What is the InChIKey of iridium;1,3,4,7-tetrahydroisochromen-7-ide-3-carboxylic acid?
The InChIKey is NAOSZXBWTUMJLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9O3.Ir/c11-10(12)9-5-7-3-1-2-4-8(7)6-13-9;/h1,3-4,9H,5-6H2,(H,11,12);/q-1;.
What are the key properties of iridium;1,3,4,7-tetrahydroisochromen-7-ide-3-carboxylic acid?
iridium;1,3,4,7-tetrahydroisochromen-7-ide-3-carboxylic acid has a molecular weight of 369.40 g/mol, XLogP of 1.01, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for iridium;1,3,4,7-tetrahydroisochromen-7-ide-3-carboxylic acid is sourced from PubChem (CID 169110079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).