CID 167433700

C8H5O2Se — CID 167433700

IUPAC—
SMILESO=Cc1cccc([Se])c1C=O
InChIInChI=1S/C8H5O2Se/c9-4-6-2-1-3-8(11)7(6)5-10/h1-5H
InChIKeyCOFYNZSTULOPEI-UHFFFAOYSA-N
MW212.09 g/mol
LogP0.11
Rot. Bonds2

About CID 167433700

CID 167433700 (PubChem CID 167433700) has the molecular formula C8H5O2Se and a molecular weight of 212.09 g/mol.

Molecular Properties

Compound NameCID 167433700
PubChem CID167433700
Molecular FormulaC8H5O2Se
Molecular Weight212.09 g/mol
Exact Mass212.95
IUPAC Name—
SMILESO=Cc1cccc([Se])c1C=O
InChIInChI=1S/C8H5O2Se/c9-4-6-2-1-3-8(11)7(6)5-10/h1-5H
InChIKeyCOFYNZSTULOPEI-UHFFFAOYSA-N
XLogP0.11
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.09
LogP ≤ 50.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

CID 19784071
CID 19784071
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2,3-dihydroxybenzaldehyde
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2-[2-(oxo(113C)methyl)phenyl](13C2)benzaldehyde
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3-(4-methoxyphenyl)phthalaldehyde
CID 174870899
2-(2,3-diformylphenoxy)acetic acid
CID 163373860
2-ethenyl-3-methoxybenzaldehyde
CID 10487197
4-(2,6-diformylphenyl)but-3-enenitrile
CID 170799962
3-(3-formyl-2-methylphenyl)-2-methylbenzaldehyde
CID 86188059

Frequently Asked Questions

What is the IUPAC name of CID 167433700?
The IUPAC name of CID 167433700 (CID 167433700) is not available.
What is the SMILES notation for CID 167433700?
The canonical SMILES for CID 167433700 is O=Cc1cccc([Se])c1C=O.
What is the InChIKey of CID 167433700?
The InChIKey is COFYNZSTULOPEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5O2Se/c9-4-6-2-1-3-8(11)7(6)5-10/h1-5H.
What are the key properties of CID 167433700?
CID 167433700 has a molecular weight of 212.09 g/mol, XLogP of 0.11, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 167433700 is sourced from PubChem (CID 167433700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).