chromium(3+);formaldehyde;tris(2-methylbenzoate)

C27H27CrO9 — CID 19812099

IUPACchromium(3+);formaldehyde;tris(2-methylbenzoate)
SMILESC=O.C=O.C=O.Cc1ccccc1C(=O)[O-].Cc1ccccc1C(=O)[O-].Cc1ccccc1C(=O)[O-].[Cr+3]
InChIInChI=1S/3C8H8O2.3CH2O.Cr/c3*1-6-4-2-3-5-7(6)8(9)10;3*1-2;/h3*2-5H,1H3,(H,9,10);3*1H2;/q;;;;;;+3/p-3
InChIKeyWPXNNYUZFRCAAN-UHFFFAOYSA-K
MW547.50 g/mol
LogP0.52
Rot. Bonds3

About chromium(3+);formaldehyde;tris(2-methylbenzoate)

chromium(3+);formaldehyde;tris(2-methylbenzoate) (PubChem CID 19812099) has the molecular formula C27H27CrO9 and a molecular weight of 547.50 g/mol. Its IUPAC name is chromium(3+);formaldehyde;tris(2-methylbenzoate).

Molecular Properties

Compound Namechromium(3+);formaldehyde;tris(2-methylbenzoate)
PubChem CID19812099
Molecular FormulaC27H27CrO9
Molecular Weight547.50 g/mol
Exact Mass547.11
IUPAC Namechromium(3+);formaldehyde;tris(2-methylbenzoate)
SMILESC=O.C=O.C=O.Cc1ccccc1C(=O)[O-].Cc1ccccc1C(=O)[O-].Cc1ccccc1C(=O)[O-].[Cr+3]
InChIInChI=1S/3C8H8O2.3CH2O.Cr/c3*1-6-4-2-3-5-7(6)8(9)10;3*1-2;/h3*2-5H,1H3,(H,9,10);3*1H2;/q;;;;;;+3/p-3
InChIKeyWPXNNYUZFRCAAN-UHFFFAOYSA-K
XLogP0.52
TPSA171.60 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500547.50
LogP ≤ 50.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of chromium(3+);formaldehyde;tris(2-methylbenzoate)?
The IUPAC name of chromium(3+);formaldehyde;tris(2-methylbenzoate) (CID 19812099) is chromium(3+);formaldehyde;tris(2-methylbenzoate).
What is the SMILES notation for chromium(3+);formaldehyde;tris(2-methylbenzoate)?
The canonical SMILES for chromium(3+);formaldehyde;tris(2-methylbenzoate) is C=O.C=O.C=O.Cc1ccccc1C(=O)[O-].Cc1ccccc1C(=O)[O-].Cc1ccccc1C(=O)[O-].[Cr+3].
What is the InChIKey of chromium(3+);formaldehyde;tris(2-methylbenzoate)?
The InChIKey is WPXNNYUZFRCAAN-UHFFFAOYSA-K. The full InChI is InChI=1S/3C8H8O2.3CH2O.Cr/c3*1-6-4-2-3-5-7(6)8(9)10;3*1-2;/h3*2-5H,1H3,(H,9,10);3*1H2;/q;;;;;;+3/p-3.
What are the key properties of chromium(3+);formaldehyde;tris(2-methylbenzoate)?
chromium(3+);formaldehyde;tris(2-methylbenzoate) has a molecular weight of 547.50 g/mol, XLogP of 0.52, 3 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for chromium(3+);formaldehyde;tris(2-methylbenzoate) is sourced from PubChem (CID 19812099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).