disodium;carboxy acetate;hydride

C3H6Na2O4 — CID 173364721

IUPACdisodium;carboxy acetate;hydride
SMILESCC(=O)OC(=O)O.[H-].[H-].[Na+].[Na+]
InChIInChI=1S/C3H4O4.2Na.2H/c1-2(4)7-3(5)6;;;;/h1H3,(H,5,6);;;;/q;2*+1;2*-1
InChIKeyFKXDMFIGWQRWQM-UHFFFAOYSA-N
MW152.06 g/mol
LogP-5.54
Rot. Bonds

About disodium;carboxy acetate;hydride

disodium;carboxy acetate;hydride (PubChem CID 173364721) has the molecular formula C3H6Na2O4 and a molecular weight of 152.06 g/mol. Its IUPAC name is disodium;carboxy acetate;hydride.

Molecular Properties

Compound Namedisodium;carboxy acetate;hydride
PubChem CID173364721
Molecular FormulaC3H6Na2O4
Molecular Weight152.06 g/mol
Exact Mass152.01
IUPAC Namedisodium;carboxy acetate;hydride
SMILESCC(=O)OC(=O)O.[H-].[H-].[Na+].[Na+]
InChIInChI=1S/C3H4O4.2Na.2H/c1-2(4)7-3(5)6;;;;/h1H3,(H,5,6);;;;/q;2*+1;2*-1
InChIKeyFKXDMFIGWQRWQM-UHFFFAOYSA-N
XLogP-5.54
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.06
LogP ≤ 5-5.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 175059238
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CID 175513331
CID 160689228
CID 160689228
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CID 174404063
dimagnesium;acetyl acetate;hydride;tetrahydrate
CID 174549676
acetyl acetate;hydrochloride
CID 87138027
dicalcium;carboxy hydrogen carbonate;hydride
CID 174530537
acetyl acetate;chromium(2+)
CID 19978523
disodium;copper;dicarboxy carbonate;hydride
CID 175456993
sodium;diacetyl butanedioate;hydride
CID 173377512
disodium;carboxy propanoate;hydride
CID 174329569
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Frequently Asked Questions

What is the IUPAC name of disodium;carboxy acetate;hydride?
The IUPAC name of disodium;carboxy acetate;hydride (CID 173364721) is disodium;carboxy acetate;hydride.
What is the SMILES notation for disodium;carboxy acetate;hydride?
The canonical SMILES for disodium;carboxy acetate;hydride is CC(=O)OC(=O)O.[H-].[H-].[Na+].[Na+].
What is the InChIKey of disodium;carboxy acetate;hydride?
The InChIKey is FKXDMFIGWQRWQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4O4.2Na.2H/c1-2(4)7-3(5)6;;;;/h1H3,(H,5,6);;;;/q;2*+1;2*-1.
What are the key properties of disodium;carboxy acetate;hydride?
disodium;carboxy acetate;hydride has a molecular weight of 152.06 g/mol, XLogP of -5.54, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for disodium;carboxy acetate;hydride is sourced from PubChem (CID 173364721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).