CID 161044599

C8H8Na — CID 161044599

IUPAC—
SMILESC1=CC=CC=CC=C1.[Na]
InChIInChI=1S/C8H8.Na/c1-2-4-6-8-7-5-3-1;/h1-8H;
InChIKeyUBIGSEZBJDBUAQ-UHFFFAOYSA-N
MW127.14 g/mol
LogP1.84
Rot. Bonds

About CID 161044599

CID 161044599 (PubChem CID 161044599) has the molecular formula C8H8Na and a molecular weight of 127.14 g/mol.

Molecular Properties

Compound NameCID 161044599
PubChem CID161044599
Molecular FormulaC8H8Na
Molecular Weight127.14 g/mol
Exact Mass127.05
IUPAC Name—
SMILESC1=CC=CC=CC=C1.[Na]
InChIInChI=1S/C8H8.Na/c1-2-4-6-8-7-5-3-1;/h1-8H;
InChIKeyUBIGSEZBJDBUAQ-UHFFFAOYSA-N
XLogP1.84
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.14
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of CID 161044599?
The IUPAC name of CID 161044599 (CID 161044599) is not available.
What is the SMILES notation for CID 161044599?
The canonical SMILES for CID 161044599 is C1=CC=CC=CC=C1.[Na].
What is the InChIKey of CID 161044599?
The InChIKey is UBIGSEZBJDBUAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8.Na/c1-2-4-6-8-7-5-3-1;/h1-8H;.
What are the key properties of CID 161044599?
CID 161044599 has a molecular weight of 127.14 g/mol, XLogP of 1.84, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 161044599 is sourced from PubChem (CID 161044599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).