sodium;carbonic acid;carboxy acetate;hydride

C4H7NaO7 — CID 175059238

IUPACsodium;carbonic acid;carboxy acetate;hydride
SMILESCC(=O)OC(=O)O.O=C(O)O.[H-].[Na+]
InChIInChI=1S/C3H4O4.CH2O3.Na.H/c1-2(4)7-3(5)6;2-1(3)4;;/h1H3,(H,5,6);(H2,2,3,4);;/q;;+1;-1
InChIKeyZONHYJAKUYEBGF-UHFFFAOYSA-N
MW190.08 g/mol
LogP-2.43
Rot. Bonds

About sodium;carbonic acid;carboxy acetate;hydride

sodium;carbonic acid;carboxy acetate;hydride (PubChem CID 175059238) has the molecular formula C4H7NaO7 and a molecular weight of 190.08 g/mol. Its IUPAC name is sodium;carbonic acid;carboxy acetate;hydride.

Molecular Properties

Compound Namesodium;carbonic acid;carboxy acetate;hydride
PubChem CID175059238
Molecular FormulaC4H7NaO7
Molecular Weight190.08 g/mol
Exact Mass190.01
IUPAC Namesodium;carbonic acid;carboxy acetate;hydride
SMILESCC(=O)OC(=O)O.O=C(O)O.[H-].[Na+]
InChIInChI=1S/C3H4O4.CH2O3.Na.H/c1-2(4)7-3(5)6;2-1(3)4;;/h1H3,(H,5,6);(H2,2,3,4);;/q;;+1;-1
InChIKeyZONHYJAKUYEBGF-UHFFFAOYSA-N
XLogP-2.43
TPSA121.13 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.08
LogP ≤ 5-2.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

disodium;carboxy acetate;hydride
CID 173364721
azane;carboxy acetate;copper
CID 175513331
CID 160689228
CID 160689228
dicalcium;acetyl acetate;hydride
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
sodium;acetic acid;carbonic acid;hydride;zinc
CID 174483290
disodium;copper;dicarboxy carbonate;hydride
CID 175456993
sodium;diacetyl butanedioate;hydride
CID 173377512
disodium;carboxy propanoate;hydride
CID 174329569

Frequently Asked Questions

What is the IUPAC name of sodium;carbonic acid;carboxy acetate;hydride?
The IUPAC name of sodium;carbonic acid;carboxy acetate;hydride (CID 175059238) is sodium;carbonic acid;carboxy acetate;hydride.
What is the SMILES notation for sodium;carbonic acid;carboxy acetate;hydride?
The canonical SMILES for sodium;carbonic acid;carboxy acetate;hydride is CC(=O)OC(=O)O.O=C(O)O.[H-].[Na+].
What is the InChIKey of sodium;carbonic acid;carboxy acetate;hydride?
The InChIKey is ZONHYJAKUYEBGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4O4.CH2O3.Na.H/c1-2(4)7-3(5)6;2-1(3)4;;/h1H3,(H,5,6);(H2,2,3,4);;/q;;+1;-1.
What are the key properties of sodium;carbonic acid;carboxy acetate;hydride?
sodium;carbonic acid;carboxy acetate;hydride has a molecular weight of 190.08 g/mol, XLogP of -2.43, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;carbonic acid;carboxy acetate;hydride is sourced from PubChem (CID 175059238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).