CID 170843062

C9H9NNaO3 — CID 170843062

IUPAC—
SMILESCC(=O)Nc1ccccc1C(=O)O.[Na]
InChIInChI=1S/C9H9NO3.Na/c1-6(11)10-8-5-3-2-4-7(8)9(12)13;/h2-5H,1H3,(H,10,11)(H,12,13);
InChIKeyDXJVBQPUEUOKGT-UHFFFAOYSA-N
MW202.16 g/mol
LogP0.96
Rot. Bonds2

About CID 170843062

CID 170843062 (PubChem CID 170843062) has the molecular formula C9H9NNaO3 and a molecular weight of 202.16 g/mol.

Molecular Properties

Compound NameCID 170843062
PubChem CID170843062
Molecular FormulaC9H9NNaO3
Molecular Weight202.16 g/mol
Exact Mass202.05
IUPAC Name—
SMILESCC(=O)Nc1ccccc1C(=O)O.[Na]
InChIInChI=1S/C9H9NO3.Na/c1-6(11)10-8-5-3-2-4-7(8)9(12)13;/h2-5H,1H3,(H,10,11)(H,12,13);
InChIKeyDXJVBQPUEUOKGT-UHFFFAOYSA-N
XLogP0.96
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.16
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 71323651
2-acetamido-4-hydroxybenzoic acid
CID 18452830
2-[(4-acetamidophenyl)sulfonylamino]benzoic acid
CID 3863821
2-acetamido-5-phenylbenzoic acid
CID 70700127
4-[(2-acetamidobenzoyl)amino]benzoic acid
CID 3729274
2-(2-carboxyanilino)benzoic acid;methylsulfanylmethane
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Frequently Asked Questions

What is the IUPAC name of CID 170843062?
The IUPAC name of CID 170843062 (CID 170843062) is not available.
What is the SMILES notation for CID 170843062?
The canonical SMILES for CID 170843062 is CC(=O)Nc1ccccc1C(=O)O.[Na].
What is the InChIKey of CID 170843062?
The InChIKey is DXJVBQPUEUOKGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO3.Na/c1-6(11)10-8-5-3-2-4-7(8)9(12)13;/h2-5H,1H3,(H,10,11)(H,12,13);.
What are the key properties of CID 170843062?
CID 170843062 has a molecular weight of 202.16 g/mol, XLogP of 0.96, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 170843062 is sourced from PubChem (CID 170843062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).