sodium;butanedioic acid;hydride;phthalic acid

C12H13NaO8 — CID 174701100

IUPACsodium;butanedioic acid;hydride;phthalic acid
SMILESO=C(O)CCC(=O)O.O=C(O)c1ccccc1C(=O)O.[H-].[Na+]
InChIInChI=1S/C8H6O4.C4H6O4.Na.H/c9-7(10)5-3-1-2-4-6(5)8(11)12;5-3(6)1-2-4(7)8;;/h1-4H,(H,9,10)(H,11,12);1-2H2,(H,5,6)(H,7,8);;/q;;+1;-1
InChIKeyFIAHLIHXUIQMGS-UHFFFAOYSA-N
MW308.22 g/mol
LogP-1.86
Rot. Bonds5

About sodium;butanedioic acid;hydride;phthalic acid

sodium;butanedioic acid;hydride;phthalic acid (PubChem CID 174701100) has the molecular formula C12H13NaO8 and a molecular weight of 308.22 g/mol. Its IUPAC name is sodium;butanedioic acid;hydride;phthalic acid.

Molecular Properties

Compound Namesodium;butanedioic acid;hydride;phthalic acid
PubChem CID174701100
Molecular FormulaC12H13NaO8
Molecular Weight308.22 g/mol
Exact Mass308.05
IUPAC Namesodium;butanedioic acid;hydride;phthalic acid
SMILESO=C(O)CCC(=O)O.O=C(O)c1ccccc1C(=O)O.[H-].[Na+]
InChIInChI=1S/C8H6O4.C4H6O4.Na.H/c9-7(10)5-3-1-2-4-6(5)8(11)12;5-3(6)1-2-4(7)8;;/h1-4H,(H,9,10)(H,11,12);1-2H2,(H,5,6)(H,7,8);;/q;;+1;-1
InChIKeyFIAHLIHXUIQMGS-UHFFFAOYSA-N
XLogP-1.86
TPSA149.20 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.22
LogP ≤ 5-1.86
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

sodium;hydride;phthalic acid;hydrate
CID 173204002
decanedioic acid;phthalic acid
CID 67564124
butanedioic acid;2-hydroxybenzoic acid
CID 68741404
magnesium;hydride;phthalic acid
CID 173000994
hydride;phthalic acid;rubidium(1+)
CID 173256629
dilithium;hydride;phthalic acid
CID 173011412
barium(2+);hydride;phthalic acid
CID 173000011
potassium;sodium;phthalic acid;dihydroxide
CID 69103190
methanediol;phthalic acid
CID 70525231
CID 66717184
CID 66717184
phthalic acid;hydrobromide
CID 71236392
hydron;phthalic acid
CID 67386665

Frequently Asked Questions

What is the IUPAC name of sodium;butanedioic acid;hydride;phthalic acid?
The IUPAC name of sodium;butanedioic acid;hydride;phthalic acid (CID 174701100) is sodium;butanedioic acid;hydride;phthalic acid.
What is the SMILES notation for sodium;butanedioic acid;hydride;phthalic acid?
The canonical SMILES for sodium;butanedioic acid;hydride;phthalic acid is O=C(O)CCC(=O)O.O=C(O)c1ccccc1C(=O)O.[H-].[Na+].
What is the InChIKey of sodium;butanedioic acid;hydride;phthalic acid?
The InChIKey is FIAHLIHXUIQMGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6O4.C4H6O4.Na.H/c9-7(10)5-3-1-2-4-6(5)8(11)12;5-3(6)1-2-4(7)8;;/h1-4H,(H,9,10)(H,11,12);1-2H2,(H,5,6)(H,7,8);;/q;;+1;-1.
What are the key properties of sodium;butanedioic acid;hydride;phthalic acid?
sodium;butanedioic acid;hydride;phthalic acid has a molecular weight of 308.22 g/mol, XLogP of -1.86, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;butanedioic acid;hydride;phthalic acid is sourced from PubChem (CID 174701100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).