benzyl acetate;carbon monoxide;chromium

C12H10CrO5 — CID 11196913

IUPACbenzyl acetate;carbon monoxide;chromium
SMILESCC(=O)OCc1ccccc1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Cr]
InChIInChI=1S/C9H10O2.3CO.Cr/c1-8(10)11-7-9-5-3-2-4-6-9;3*1-2;/h2-6H,7H2,1H3;;;;
InChIKeyISEZQFAIFXHFRA-UHFFFAOYSA-N
MW286.20 g/mol
LogP1.63
Rot. Bonds2

About benzyl acetate;carbon monoxide;chromium

benzyl acetate;carbon monoxide;chromium (PubChem CID 11196913) has the molecular formula C12H10CrO5 and a molecular weight of 286.20 g/mol. Its IUPAC name is benzyl acetate;carbon monoxide;chromium.

Molecular Properties

Compound Namebenzyl acetate;carbon monoxide;chromium
PubChem CID11196913
Molecular FormulaC12H10CrO5
Molecular Weight286.20 g/mol
Exact Mass285.99
IUPAC Namebenzyl acetate;carbon monoxide;chromium
SMILESCC(=O)OCc1ccccc1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Cr]
InChIInChI=1S/C9H10O2.3CO.Cr/c1-8(10)11-7-9-5-3-2-4-6-9;3*1-2;/h2-6H,7H2,1H3;;;;
InChIKeyISEZQFAIFXHFRA-UHFFFAOYSA-N
XLogP1.63
TPSA86.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.20
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of benzyl acetate;carbon monoxide;chromium?
The IUPAC name of benzyl acetate;carbon monoxide;chromium (CID 11196913) is benzyl acetate;carbon monoxide;chromium.
What is the SMILES notation for benzyl acetate;carbon monoxide;chromium?
The canonical SMILES for benzyl acetate;carbon monoxide;chromium is CC(=O)OCc1ccccc1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Cr].
What is the InChIKey of benzyl acetate;carbon monoxide;chromium?
The InChIKey is ISEZQFAIFXHFRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O2.3CO.Cr/c1-8(10)11-7-9-5-3-2-4-6-9;3*1-2;/h2-6H,7H2,1H3;;;;.
What are the key properties of benzyl acetate;carbon monoxide;chromium?
benzyl acetate;carbon monoxide;chromium has a molecular weight of 286.20 g/mol, XLogP of 1.63, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl acetate;carbon monoxide;chromium is sourced from PubChem (CID 11196913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).