CID 170846255

C5H5NNaO3 — CID 170846255

IUPAC—
SMILESCc1cc(C(=O)O)no1.[Na]
InChIInChI=1S/C5H5NO3.Na/c1-3-2-4(5(7)8)6-9-3;/h2H,1H3,(H,7,8);
InChIKeyNYRZUCANVVWYNO-UHFFFAOYSA-N
MW150.09 g/mol
LogP0.30
Rot. Bonds1

About CID 170846255

CID 170846255 (PubChem CID 170846255) has the molecular formula C5H5NNaO3 and a molecular weight of 150.09 g/mol.

Molecular Properties

Compound NameCID 170846255
PubChem CID170846255
Molecular FormulaC5H5NNaO3
Molecular Weight150.09 g/mol
Exact Mass150.02
IUPAC Name—
SMILESCc1cc(C(=O)O)no1.[Na]
InChIInChI=1S/C5H5NO3.Na/c1-3-2-4(5(7)8)6-9-3;/h2H,1H3,(H,7,8);
InChIKeyNYRZUCANVVWYNO-UHFFFAOYSA-N
XLogP0.30
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.09
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of CID 170846255?
The IUPAC name of CID 170846255 (CID 170846255) is not available.
What is the SMILES notation for CID 170846255?
The canonical SMILES for CID 170846255 is Cc1cc(C(=O)O)no1.[Na].
What is the InChIKey of CID 170846255?
The InChIKey is NYRZUCANVVWYNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5NO3.Na/c1-3-2-4(5(7)8)6-9-3;/h2H,1H3,(H,7,8);.
What are the key properties of CID 170846255?
CID 170846255 has a molecular weight of 150.09 g/mol, XLogP of 0.30, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 170846255 is sourced from PubChem (CID 170846255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).