carbon monoxide;3-hydroxy-2-phenylchromen-4-one;technetium-99;hydrate

C18H12O7Tc — CID 46933843

IUPACcarbon monoxide;3-hydroxy-2-phenylchromen-4-one;technetium-99;hydrate
SMILESO.O=c1c(O)c(-c2ccccc2)oc2ccccc12.[99Tc].[C-]#[O+].[C-]#[O+].[C-]#[O+]
InChIInChI=1S/C15H10O3.3CO.H2O.Tc/c16-13-11-8-4-5-9-12(11)18-15(14(13)17)10-6-2-1-3-7-10;3*1-2;;/h1-9,17H;;;;1H2;/i;;;;;1+1
InChIKeySQYNXGXBDYDTSD-PUQAOBSFSA-N
MW439.19 g/mol
LogP2.23
Rot. Bonds1

About carbon monoxide;3-hydroxy-2-phenylchromen-4-one;technetium-99;hydrate

carbon monoxide;3-hydroxy-2-phenylchromen-4-one;technetium-99;hydrate (PubChem CID 46933843) has the molecular formula C18H12O7Tc and a molecular weight of 439.19 g/mol. Its IUPAC name is carbon monoxide;3-hydroxy-2-phenylchromen-4-one;technetium-99;hydrate.

Molecular Properties

Compound Namecarbon monoxide;3-hydroxy-2-phenylchromen-4-one;technetium-99;hydrate
PubChem CID46933843
Molecular FormulaC18H12O7Tc
Molecular Weight439.19 g/mol
Exact Mass438.96
IUPAC Namecarbon monoxide;3-hydroxy-2-phenylchromen-4-one;technetium-99;hydrate
SMILESO.O=c1c(O)c(-c2ccccc2)oc2ccccc12.[99Tc].[C-]#[O+].[C-]#[O+].[C-]#[O+]
InChIInChI=1S/C15H10O3.3CO.H2O.Tc/c16-13-11-8-4-5-9-12(11)18-15(14(13)17)10-6-2-1-3-7-10;3*1-2;;/h1-9,17H;;;;1H2;/i;;;;;1+1
InChIKeySQYNXGXBDYDTSD-PUQAOBSFSA-N
XLogP2.23
TPSA141.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.19
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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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CID 161072875
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CID 66573994
magnesium 2-(3,4-dimethylphenyl)-3-hydroxychromen-4-one
CID 19939019
2-[4-[bis(2-hydroxyethyl)amino]phenyl]-3-hydroxychromen-4-one
CID 101427605
2-(2-chlorophenyl)-3-hydroxychromen-4-one
CID 4915039
2-[4-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]-3-hydroxychromen-4-one
CID 5272807
3-hydroxy-2-[4-(2-methylpropoxy)phenyl]chromen-4-one
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3-hydroxy-2-(9-oxofluoren-4-yl)chromen-4-one
CID 22239057

Frequently Asked Questions

What is the IUPAC name of carbon monoxide;3-hydroxy-2-phenylchromen-4-one;technetium-99;hydrate?
The IUPAC name of carbon monoxide;3-hydroxy-2-phenylchromen-4-one;technetium-99;hydrate (CID 46933843) is carbon monoxide;3-hydroxy-2-phenylchromen-4-one;technetium-99;hydrate.
What is the SMILES notation for carbon monoxide;3-hydroxy-2-phenylchromen-4-one;technetium-99;hydrate?
The canonical SMILES for carbon monoxide;3-hydroxy-2-phenylchromen-4-one;technetium-99;hydrate is O.O=c1c(O)c(-c2ccccc2)oc2ccccc12.[99Tc].[C-]#[O+].[C-]#[O+].[C-]#[O+].
What is the InChIKey of carbon monoxide;3-hydroxy-2-phenylchromen-4-one;technetium-99;hydrate?
The InChIKey is SQYNXGXBDYDTSD-PUQAOBSFSA-N. The full InChI is InChI=1S/C15H10O3.3CO.H2O.Tc/c16-13-11-8-4-5-9-12(11)18-15(14(13)17)10-6-2-1-3-7-10;3*1-2;;/h1-9,17H;;;;1H2;/i;;;;;1+1.
What are the key properties of carbon monoxide;3-hydroxy-2-phenylchromen-4-one;technetium-99;hydrate?
carbon monoxide;3-hydroxy-2-phenylchromen-4-one;technetium-99;hydrate has a molecular weight of 439.19 g/mol, XLogP of 2.23, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for carbon monoxide;3-hydroxy-2-phenylchromen-4-one;technetium-99;hydrate is sourced from PubChem (CID 46933843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).