CID 173433428

C12H13O3Te — CID 173433428

IUPAC—
SMILESCCOC1=C2C(=O)CC(OC)=CC2=[Te]C=C1
InChIInChI=1S/C12H13O3Te/c1-3-15-10-4-5-16-11-7-8(14-2)6-9(13)12(10)11/h4-5,7H,3,6H2,1-2H3
InChIKeyLBFRUIGJUVWQNO-UHFFFAOYSA-N
MW332.83 g/mol
LogP1.18
Rot. Bonds3

About CID 173433428

CID 173433428 (PubChem CID 173433428) has the molecular formula C12H13O3Te and a molecular weight of 332.83 g/mol.

Molecular Properties

Compound NameCID 173433428
PubChem CID173433428
Molecular FormulaC12H13O3Te
Molecular Weight332.83 g/mol
Exact Mass334.99
IUPAC Name—
SMILESCCOC1=C2C(=O)CC(OC)=CC2=[Te]C=C1
InChIInChI=1S/C12H13O3Te/c1-3-15-10-4-5-16-11-7-8(14-2)6-9(13)12(10)11/h4-5,7H,3,6H2,1-2H3
InChIKeyLBFRUIGJUVWQNO-UHFFFAOYSA-N
XLogP1.18
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.83
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 173433428?
The IUPAC name of CID 173433428 (CID 173433428) is not available.
What is the SMILES notation for CID 173433428?
The canonical SMILES for CID 173433428 is CCOC1=C2C(=O)CC(OC)=CC2=[Te]C=C1.
What is the InChIKey of CID 173433428?
The InChIKey is LBFRUIGJUVWQNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13O3Te/c1-3-15-10-4-5-16-11-7-8(14-2)6-9(13)12(10)11/h4-5,7H,3,6H2,1-2H3.
What are the key properties of CID 173433428?
CID 173433428 has a molecular weight of 332.83 g/mol, XLogP of 1.18, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173433428 is sourced from PubChem (CID 173433428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).