sodium;butanedioic acid;hydride;trihydrate

C4H13NaO7 — CID 173259329

IUPACsodium;butanedioic acid;hydride;trihydrate
SMILESO.O.O.O=C(O)CCC(=O)O.[H-].[Na+]
InChIInChI=1S/C4H6O4.Na.3H2O.H/c5-3(6)1-2-4(7)8;;;;;/h1-2H2,(H,5,6)(H,7,8);;3*1H2;/q;+1;;;;-1
InChIKeyFHJNZCQWCQMQSQ-UHFFFAOYSA-N
MW196.13 g/mol
LogP-5.42
Rot. Bonds3

About sodium;butanedioic acid;hydride;trihydrate

sodium;butanedioic acid;hydride;trihydrate (PubChem CID 173259329) has the molecular formula C4H13NaO7 and a molecular weight of 196.13 g/mol. Its IUPAC name is sodium;butanedioic acid;hydride;trihydrate.

Molecular Properties

Compound Namesodium;butanedioic acid;hydride;trihydrate
PubChem CID173259329
Molecular FormulaC4H13NaO7
Molecular Weight196.13 g/mol
Exact Mass196.06
IUPAC Namesodium;butanedioic acid;hydride;trihydrate
SMILESO.O.O.O=C(O)CCC(=O)O.[H-].[Na+]
InChIInChI=1S/C4H6O4.Na.3H2O.H/c5-3(6)1-2-4(7)8;;;;;/h1-2H2,(H,5,6)(H,7,8);;3*1H2;/q;+1;;;;-1
InChIKeyFHJNZCQWCQMQSQ-UHFFFAOYSA-N
XLogP-5.42
TPSA169.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.13
LogP ≤ 5-5.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

sodium;butanedioic acid;hydride;iron
CID 173304011
trisodium;butanedioic acid
CID 175698490
azane;butanedioic acid;dihydrate
CID 141112137
butanedioic acid;zinc;dihydrate
CID 175420905
butanedioic acid;zinc;dihydrate
CID 175091968
bis(butanedioic acid);carbonic acid
CID 159577506
bis(butanedioic acid);silane
CID 173419629
butanedioic acid;hydrochloride
CID 87113713
azane;butanedioic acid
CID 87070561
butanedioic acid;oxalonitrile
CID 175322559
bis(butanedioic acid);hydroxylamine
CID 174855273
butanedioic acid;ethene
CID 87532899

Frequently Asked Questions

What is the IUPAC name of sodium;butanedioic acid;hydride;trihydrate?
The IUPAC name of sodium;butanedioic acid;hydride;trihydrate (CID 173259329) is sodium;butanedioic acid;hydride;trihydrate.
What is the SMILES notation for sodium;butanedioic acid;hydride;trihydrate?
The canonical SMILES for sodium;butanedioic acid;hydride;trihydrate is O.O.O.O=C(O)CCC(=O)O.[H-].[Na+].
What is the InChIKey of sodium;butanedioic acid;hydride;trihydrate?
The InChIKey is FHJNZCQWCQMQSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6O4.Na.3H2O.H/c5-3(6)1-2-4(7)8;;;;;/h1-2H2,(H,5,6)(H,7,8);;3*1H2;/q;+1;;;;-1.
What are the key properties of sodium;butanedioic acid;hydride;trihydrate?
sodium;butanedioic acid;hydride;trihydrate has a molecular weight of 196.13 g/mol, XLogP of -5.42, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;butanedioic acid;hydride;trihydrate is sourced from PubChem (CID 173259329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).