CID 118898551

C14H8Na2O2 — CID 118898551

IUPAC—
SMILESO=C1C(=O)c2ccccc2-c2ccccc21.[Na].[Na]
InChIInChI=1S/C14H8O2.2Na/c15-13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)14(13)16;;/h1-8H;;
InChIKeyDGNBUYYCYYCGDC-UHFFFAOYSA-N
MW254.20 g/mol
LogP1.97
Rot. Bonds

About CID 118898551

CID 118898551 (PubChem CID 118898551) has the molecular formula C14H8Na2O2 and a molecular weight of 254.20 g/mol.

Molecular Properties

Compound NameCID 118898551
PubChem CID118898551
Molecular FormulaC14H8Na2O2
Molecular Weight254.20 g/mol
Exact Mass254.03
IUPAC Name—
SMILESO=C1C(=O)c2ccccc2-c2ccccc21.[Na].[Na]
InChIInChI=1S/C14H8O2.2Na/c15-13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)14(13)16;;/h1-8H;;
InChIKeyDGNBUYYCYYCGDC-UHFFFAOYSA-N
XLogP1.97
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.20
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'quinone_D(2)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

phenanthrene-9,10-dione
CID 6763
CID 66807709
CID 66807709
sodium;fluoren-9-one;hydride
CID 174594472
CID 67824005
CID 67824005
anthracene-9,10-dione;hydrofluoride
CID 172728823
lithium;anthracene-9,10-dione;hydride
CID 174683199
anthracene-9,10-dione;platinum(2+);dichloride
CID 174702138
anthracene-9,10-dione;hydrate;hydrochloride
CID 177309925
ethane;bis(fluoren-9-one);methanol
CID 162250310
1,2-diphenylethane-1,2-dione;phenanthrene-9,10-dione
CID 175371588
CID 158261979
CID 158261979
3-chlorophenanthrene-9,10-dione
CID 67151037

Frequently Asked Questions

What is the IUPAC name of CID 118898551?
The IUPAC name of CID 118898551 (CID 118898551) is not available.
What is the SMILES notation for CID 118898551?
The canonical SMILES for CID 118898551 is O=C1C(=O)c2ccccc2-c2ccccc21.[Na].[Na].
What is the InChIKey of CID 118898551?
The InChIKey is DGNBUYYCYYCGDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8O2.2Na/c15-13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)14(13)16;;/h1-8H;;.
What are the key properties of CID 118898551?
CID 118898551 has a molecular weight of 254.20 g/mol, XLogP of 1.97, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 118898551 is sourced from PubChem (CID 118898551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).