CID 162308474

C9H8KO3 — CID 162308474

IUPAC—
SMILESCC(=O)OC(=O)c1ccccc1.[K]
InChIInChI=1S/C9H8O3.K/c1-7(10)12-9(11)8-5-3-2-4-6-8;/h2-6H,1H3;
InChIKeyATUPYPIMMNTIDE-UHFFFAOYSA-N
MW203.26 g/mol
LogP1.01
Rot. Bonds1

About CID 162308474

CID 162308474 (PubChem CID 162308474) has the molecular formula C9H8KO3 and a molecular weight of 203.26 g/mol.

Molecular Properties

Compound NameCID 162308474
PubChem CID162308474
Molecular FormulaC9H8KO3
Molecular Weight203.26 g/mol
Exact Mass203.01
IUPAC Name—
SMILESCC(=O)OC(=O)c1ccccc1.[K]
InChIInChI=1S/C9H8O3.K/c1-7(10)12-9(11)8-5-3-2-4-6-8;/h2-6H,1H3;
InChIKeyATUPYPIMMNTIDE-UHFFFAOYSA-N
XLogP1.01
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.26
LogP ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

benzoyl benzoate;methylperoxymethane
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iron;2-oxopropanoyl benzoate
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benzoyl benzoate;2-methylprop-2-enoic acid
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(2-hydroxy-4-oxopent-2-en-3-yl) benzoate
CID 70385266
3-oxobut-1-en-2-yl benzoate
CID 12671077
[acetyloxy(phenyl)methylidene]manganese
CID 135047264
chloro acetate;chloro benzoate
CID 68991315
acetylperoxy benzenecarboperoxoate
CID 154134678
benzoyl benzoate;butyl acetate
CID 174908131
benzoyl benzoate;benzoyl chloride
CID 157050310
acetyl 4-bromobenzoate
CID 12637961
benzoyl benzenecarboperoxoate;1-phenylethanone
CID 158043567

Frequently Asked Questions

What is the IUPAC name of CID 162308474?
The IUPAC name of CID 162308474 (CID 162308474) is not available.
What is the SMILES notation for CID 162308474?
The canonical SMILES for CID 162308474 is CC(=O)OC(=O)c1ccccc1.[K].
What is the InChIKey of CID 162308474?
The InChIKey is ATUPYPIMMNTIDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8O3.K/c1-7(10)12-9(11)8-5-3-2-4-6-8;/h2-6H,1H3;.
What are the key properties of CID 162308474?
CID 162308474 has a molecular weight of 203.26 g/mol, XLogP of 1.01, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 162308474 is sourced from PubChem (CID 162308474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).