[acetyloxy(phenyl)methylidene]manganese

C9H8MnO2 — CID 135047264

IUPAC[acetyloxy(phenyl)methylidene]manganese
SMILESCC(=O)OC(=[Mn])c1ccccc1
InChIInChI=1S/C9H8O2.Mn/c1-8(10)11-7-9-5-3-2-4-6-9;/h2-6H,1H3;
InChIKeyVLIBSPSRJZEIBS-UHFFFAOYSA-N
MW203.10 g/mol
LogP1.27
Rot. Bonds2

About [acetyloxy(phenyl)methylidene]manganese

[acetyloxy(phenyl)methylidene]manganese (PubChem CID 135047264) has the molecular formula C9H8MnO2 and a molecular weight of 203.10 g/mol. Its IUPAC name is [acetyloxy(phenyl)methylidene]manganese.

Molecular Properties

Compound Name[acetyloxy(phenyl)methylidene]manganese
PubChem CID135047264
Molecular FormulaC9H8MnO2
Molecular Weight203.10 g/mol
Exact Mass202.99
IUPAC Name[acetyloxy(phenyl)methylidene]manganese
SMILESCC(=O)OC(=[Mn])c1ccccc1
InChIInChI=1S/C9H8O2.Mn/c1-8(10)11-7-9-5-3-2-4-6-9;/h2-6H,1H3;
InChIKeyVLIBSPSRJZEIBS-UHFFFAOYSA-N
XLogP1.27
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.10
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Benzyl acetate
CID 8785
Benzyl Cinnamate
CID 5273469
Cinnamyl Acetate
CID 5282110
2-Phenylethyl propionate
CID 31225
2-Phenylethyl Acetate
CID 7654
Benzyl formate
CID 7708
Benzyl butyrate
CID 7650
Benzyl tiglate
CID 250096
Benzyl bromoacetate
CID 62576
Benzaldehyde dimethyl acetal
CID 62375
1-Phenylethyl propionate
CID 8432
Benzyl isobutyrate
CID 7646

Frequently Asked Questions

What is the IUPAC name of [acetyloxy(phenyl)methylidene]manganese?
The IUPAC name of [acetyloxy(phenyl)methylidene]manganese (CID 135047264) is [acetyloxy(phenyl)methylidene]manganese.
What is the SMILES notation for [acetyloxy(phenyl)methylidene]manganese?
The canonical SMILES for [acetyloxy(phenyl)methylidene]manganese is CC(=O)OC(=[Mn])c1ccccc1.
What is the InChIKey of [acetyloxy(phenyl)methylidene]manganese?
The InChIKey is VLIBSPSRJZEIBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8O2.Mn/c1-8(10)11-7-9-5-3-2-4-6-9;/h2-6H,1H3;.
What are the key properties of [acetyloxy(phenyl)methylidene]manganese?
[acetyloxy(phenyl)methylidene]manganese has a molecular weight of 203.10 g/mol, XLogP of 1.27, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [acetyloxy(phenyl)methylidene]manganese is sourced from PubChem (CID 135047264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).