methyl benzoate;yttrium

C8H7O2Y- — CID 58542569

IUPACmethyl benzoate;yttrium
SMILESCOC(=O)c1c[c-]ccc1.[Y]
InChIInChI=1S/C8H7O2.Y/c1-10-8(9)7-5-3-2-4-6-7;/h2-3,5-6H,1H3;/q-1;
InChIKeyJHORPXQOSOMPLC-UHFFFAOYSA-N
MW224.05 g/mol
LogP1.27
Rot. Bonds1

About methyl benzoate;yttrium

methyl benzoate;yttrium (PubChem CID 58542569) has the molecular formula C8H7O2Y- and a molecular weight of 224.05 g/mol. Its IUPAC name is methyl benzoate;yttrium.

Molecular Properties

Compound Namemethyl benzoate;yttrium
PubChem CID58542569
Molecular FormulaC8H7O2Y-
Molecular Weight224.05 g/mol
Exact Mass223.95
IUPAC Namemethyl benzoate;yttrium
SMILESCOC(=O)c1c[c-]ccc1.[Y]
InChIInChI=1S/C8H7O2.Y/c1-10-8(9)7-5-3-2-4-6-7;/h2-3,5-6H,1H3;/q-1;
InChIKeyJHORPXQOSOMPLC-UHFFFAOYSA-N
XLogP1.27
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.05
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

zinc methyl benzoate
CID 15977761
methyl benzoate;hydrate
CID 141218240
dimethylazanide;methyl benzoate;yttrium
CID 59047039
CID 157228504
CID 157228504
ethane;methoxymethane;methyl benzoate
CID 90999424
CID 70265363
CID 70265363
CID 159558349
CID 159558349
methyl 3-acetylbenzoate
CID 15094405
azane;dimethyl benzene-1,3-dicarboxylate;hydron
CID 175196363
(111C)methyl pyridine-3-carboxylate
CID 11309537
methyl benzoate azide
CID 161139797
methyl 1-methylpyridin-1-ium-3-carboxylate chloride
CID 3084022

Frequently Asked Questions

What is the IUPAC name of methyl benzoate;yttrium?
The IUPAC name of methyl benzoate;yttrium (CID 58542569) is methyl benzoate;yttrium.
What is the SMILES notation for methyl benzoate;yttrium?
The canonical SMILES for methyl benzoate;yttrium is COC(=O)c1c[c-]ccc1.[Y].
What is the InChIKey of methyl benzoate;yttrium?
The InChIKey is JHORPXQOSOMPLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7O2.Y/c1-10-8(9)7-5-3-2-4-6-7;/h2-3,5-6H,1H3;/q-1;.
What are the key properties of methyl benzoate;yttrium?
methyl benzoate;yttrium has a molecular weight of 224.05 g/mol, XLogP of 1.27, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl benzoate;yttrium is sourced from PubChem (CID 58542569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).