CID 66766975

C6H7NaO3P — CID 66766975

IUPAC—
SMILESO=P(O)(O)c1ccccc1.[Na]
InChIInChI=1S/C6H7O3P.Na/c7-10(8,9)6-4-2-1-3-5-6;/h1-5H,(H2,7,8,9);
InChIKeyQKBWNOXQJBGKCH-UHFFFAOYSA-N
MW181.08 g/mol
LogP0.11
Rot. Bonds1

About CID 66766975

CID 66766975 (PubChem CID 66766975) has the molecular formula C6H7NaO3P and a molecular weight of 181.08 g/mol.

Molecular Properties

Compound NameCID 66766975
PubChem CID66766975
Molecular FormulaC6H7NaO3P
Molecular Weight181.08 g/mol
Exact Mass181.00
IUPAC Name—
SMILESO=P(O)(O)c1ccccc1.[Na]
InChIInChI=1S/C6H7O3P.Na/c7-10(8,9)6-4-2-1-3-5-6;/h1-5H,(H2,7,8,9);
InChIKeyQKBWNOXQJBGKCH-UHFFFAOYSA-N
XLogP0.11
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.08
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 70504885
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diphenylphosphorylbenzene;terbium
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Frequently Asked Questions

What is the IUPAC name of CID 66766975?
The IUPAC name of CID 66766975 (CID 66766975) is not available.
What is the SMILES notation for CID 66766975?
The canonical SMILES for CID 66766975 is O=P(O)(O)c1ccccc1.[Na].
What is the InChIKey of CID 66766975?
The InChIKey is QKBWNOXQJBGKCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7O3P.Na/c7-10(8,9)6-4-2-1-3-5-6;/h1-5H,(H2,7,8,9);.
What are the key properties of CID 66766975?
CID 66766975 has a molecular weight of 181.08 g/mol, XLogP of 0.11, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 66766975 is sourced from PubChem (CID 66766975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).