CID 69129935

C10H10NaO3 — CID 69129935

IUPAC—
SMILESCOc1ccc(C=CC(=O)O)cc1.[Na]
InChIInChI=1S/C10H10O3.Na/c1-13-9-5-2-8(3-6-9)4-7-10(11)12;/h2-7H,1H3,(H,11,12);
InChIKeyOJPSBFNPEGZEJO-UHFFFAOYSA-N
MW201.18 g/mol
LogP1.41
Rot. Bonds3

About CID 69129935

CID 69129935 (PubChem CID 69129935) has the molecular formula C10H10NaO3 and a molecular weight of 201.18 g/mol.

Molecular Properties

Compound NameCID 69129935
PubChem CID69129935
Molecular FormulaC10H10NaO3
Molecular Weight201.18 g/mol
Exact Mass201.05
IUPAC Name—
SMILESCOc1ccc(C=CC(=O)O)cc1.[Na]
InChIInChI=1S/C10H10O3.Na/c1-13-9-5-2-8(3-6-9)4-7-10(11)12;/h2-7H,1H3,(H,11,12);
InChIKeyOJPSBFNPEGZEJO-UHFFFAOYSA-N
XLogP1.41
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.18
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

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CID 59090938
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Frequently Asked Questions

What is the IUPAC name of CID 69129935?
The IUPAC name of CID 69129935 (CID 69129935) is not available.
What is the SMILES notation for CID 69129935?
The canonical SMILES for CID 69129935 is COc1ccc(C=CC(=O)O)cc1.[Na].
What is the InChIKey of CID 69129935?
The InChIKey is OJPSBFNPEGZEJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O3.Na/c1-13-9-5-2-8(3-6-9)4-7-10(11)12;/h2-7H,1H3,(H,11,12);.
What are the key properties of CID 69129935?
CID 69129935 has a molecular weight of 201.18 g/mol, XLogP of 1.41, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 69129935 is sourced from PubChem (CID 69129935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).