CID 137424646

C7H8NaO2 — CID 137424646

IUPAC—
SMILESOCc1ccccc1O.[Na]
InChIInChI=1S/C7H8O2.Na/c8-5-6-3-1-2-4-7(6)9;/h1-4,8-9H,5H2;
InChIKeyDCWHJAIDYVBFIL-UHFFFAOYSA-N
MW147.13 g/mol
LogP0.50
Rot. Bonds1

About CID 137424646

CID 137424646 (PubChem CID 137424646) has the molecular formula C7H8NaO2 and a molecular weight of 147.13 g/mol.

Molecular Properties

Compound NameCID 137424646
PubChem CID137424646
Molecular FormulaC7H8NaO2
Molecular Weight147.13 g/mol
Exact Mass147.04
IUPAC Name—
SMILESOCc1ccccc1O.[Na]
InChIInChI=1S/C7H8O2.Na/c8-5-6-3-1-2-4-7(6)9;/h1-4,8-9H,5H2;
InChIKeyDCWHJAIDYVBFIL-UHFFFAOYSA-N
XLogP0.50
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.13
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of CID 137424646?
The IUPAC name of CID 137424646 (CID 137424646) is not available.
What is the SMILES notation for CID 137424646?
The canonical SMILES for CID 137424646 is OCc1ccccc1O.[Na].
What is the InChIKey of CID 137424646?
The InChIKey is DCWHJAIDYVBFIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8O2.Na/c8-5-6-3-1-2-4-7(6)9;/h1-4,8-9H,5H2;.
What are the key properties of CID 137424646?
CID 137424646 has a molecular weight of 147.13 g/mol, XLogP of 0.50, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 137424646 is sourced from PubChem (CID 137424646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).