CID 159368352

C12H8NaO3 — CID 159368352

IUPAC—
SMILESO=C1C=C(C=Cc2ccccc2)C(=O)O1.[Na]
InChIInChI=1S/C12H8O3.Na/c13-11-8-10(12(14)15-11)7-6-9-4-2-1-3-5-9;/h1-8H;
InChIKeyLJKMCTWPOSTJHB-UHFFFAOYSA-N
MW223.18 g/mol
LogP1.33
Rot. Bonds2

About CID 159368352

CID 159368352 (PubChem CID 159368352) has the molecular formula C12H8NaO3 and a molecular weight of 223.18 g/mol.

Molecular Properties

Compound NameCID 159368352
PubChem CID159368352
Molecular FormulaC12H8NaO3
Molecular Weight223.18 g/mol
Exact Mass223.04
IUPAC Name—
SMILESO=C1C=C(C=Cc2ccccc2)C(=O)O1.[Na]
InChIInChI=1S/C12H8O3.Na/c13-11-8-10(12(14)15-11)7-6-9-4-2-1-3-5-9;/h1-8H;
InChIKeyLJKMCTWPOSTJHB-UHFFFAOYSA-N
XLogP1.33
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.18
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

3-(2-phenylethenyl)furan-2,5-dione;(2,4,6-tribromophenyl) prop-2-enoate
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oxiran-2-ylmethyl 2-methylprop-2-enoate;3-(2-phenylethenyl)furan-2,5-dione
CID 86748319
CID 70569152
CID 70569152
CID 70567885
CID 70567885
3-(4-methylpent-1-enyl)furan-2,5-dione
CID 173181581
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disodium;hydride;(E)-stilbene
CID 173089328
ethenyl(triethoxy)silane;1,1,2,4,4,4-hexafluorobutyl 2-methylprop-2-enoate;3-(2-phenylethenyl)furan-2,5-dione
CID 159208931
2,3-bis[(E)-2-phenylethenyl]pyrazine
CID 15654808
stilbene;sulfuric acid
CID 67612140
acetic acid;stilbene
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2,6-bis[(E)-2-phenylethenyl]pyran-4-one
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Frequently Asked Questions

What is the IUPAC name of CID 159368352?
The IUPAC name of CID 159368352 (CID 159368352) is not available.
What is the SMILES notation for CID 159368352?
The canonical SMILES for CID 159368352 is O=C1C=C(C=Cc2ccccc2)C(=O)O1.[Na].
What is the InChIKey of CID 159368352?
The InChIKey is LJKMCTWPOSTJHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8O3.Na/c13-11-8-10(12(14)15-11)7-6-9-4-2-1-3-5-9;/h1-8H;.
What are the key properties of CID 159368352?
CID 159368352 has a molecular weight of 223.18 g/mol, XLogP of 1.33, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 159368352 is sourced from PubChem (CID 159368352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).