carbanide;chromium(4+);formaldehyde;tribenzoate

C25H24CrO9 — CID 173194303

IUPACcarbanide;chromium(4+);formaldehyde;tribenzoate
SMILESC=O.C=O.C=O.O=C([O-])c1ccccc1.O=C([O-])c1ccccc1.O=C([O-])c1ccccc1.[CH3-].[Cr+4]
InChIInChI=1S/3C7H6O2.3CH2O.CH3.Cr/c3*8-7(9)6-4-2-1-3-5-6;3*1-2;;/h3*1-5H,(H,8,9);3*1H2;1H3;/q;;;;;;-1;+4/p-3
InChIKeyWAODSVFGQLBLIJ-UHFFFAOYSA-K
MW520.45 g/mol
LogP0.04
Rot. Bonds3

About carbanide;chromium(4+);formaldehyde;tribenzoate

carbanide;chromium(4+);formaldehyde;tribenzoate (PubChem CID 173194303) has the molecular formula C25H24CrO9 and a molecular weight of 520.45 g/mol. Its IUPAC name is carbanide;chromium(4+);formaldehyde;tribenzoate.

Molecular Properties

Compound Namecarbanide;chromium(4+);formaldehyde;tribenzoate
PubChem CID173194303
Molecular FormulaC25H24CrO9
Molecular Weight520.45 g/mol
Exact Mass520.08
IUPAC Namecarbanide;chromium(4+);formaldehyde;tribenzoate
SMILESC=O.C=O.C=O.O=C([O-])c1ccccc1.O=C([O-])c1ccccc1.O=C([O-])c1ccccc1.[CH3-].[Cr+4]
InChIInChI=1S/3C7H6O2.3CH2O.CH3.Cr/c3*8-7(9)6-4-2-1-3-5-6;3*1-2;;/h3*1-5H,(H,8,9);3*1H2;1H3;/q;;;;;;-1;+4/p-3
InChIKeyWAODSVFGQLBLIJ-UHFFFAOYSA-K
XLogP0.04
TPSA171.60 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500520.45
LogP ≤ 50.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

sodium;formaldehyde;benzoate
CID 159976581
azanium benzoate
CID 15830
cerium(3+) tribenzoate
CID 6452877
benzoate tetrahydrate
CID 18510013
cobalt(3+) tribenzoate
CID 20537733
aluminum dibenzoate
CID 18679092
copper tribenzoate
CID 158096746
ruthenium(4+) tetrabenzoate
CID 173321421
calcium dibenzoate
CID 90470399
cadmium(2+) benzoate
CID 22051861
platinum(4+) tetrabenzoate
CID 173022810
triazanium;tribenzoate
CID 161450646

Frequently Asked Questions

What is the IUPAC name of carbanide;chromium(4+);formaldehyde;tribenzoate?
The IUPAC name of carbanide;chromium(4+);formaldehyde;tribenzoate (CID 173194303) is carbanide;chromium(4+);formaldehyde;tribenzoate.
What is the SMILES notation for carbanide;chromium(4+);formaldehyde;tribenzoate?
The canonical SMILES for carbanide;chromium(4+);formaldehyde;tribenzoate is C=O.C=O.C=O.O=C([O-])c1ccccc1.O=C([O-])c1ccccc1.O=C([O-])c1ccccc1.[CH3-].[Cr+4].
What is the InChIKey of carbanide;chromium(4+);formaldehyde;tribenzoate?
The InChIKey is WAODSVFGQLBLIJ-UHFFFAOYSA-K. The full InChI is InChI=1S/3C7H6O2.3CH2O.CH3.Cr/c3*8-7(9)6-4-2-1-3-5-6;3*1-2;;/h3*1-5H,(H,8,9);3*1H2;1H3;/q;;;;;;-1;+4/p-3.
What are the key properties of carbanide;chromium(4+);formaldehyde;tribenzoate?
carbanide;chromium(4+);formaldehyde;tribenzoate has a molecular weight of 520.45 g/mol, XLogP of 0.04, 3 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;chromium(4+);formaldehyde;tribenzoate is sourced from PubChem (CID 173194303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).