butanedioic acid;zinc;dihydrate

C4H10O6Zn — CID 175091968

IUPACbutanedioic acid;zinc;dihydrate
SMILESO.O.O=C(O)CCC(=O)O.[Zn]
InChIInChI=1S/C4H6O4.2H2O.Zn/c5-3(6)1-2-4(7)8;;;/h1-2H2,(H,5,6)(H,7,8);2*1H2;
InChIKeyNAICYUXGPZCOMR-UHFFFAOYSA-N
MW219.51 g/mol
LogP-1.72
Rot. Bonds3

About butanedioic acid;zinc;dihydrate

butanedioic acid;zinc;dihydrate (PubChem CID 175091968) has the molecular formula C4H10O6Zn and a molecular weight of 219.51 g/mol. Its IUPAC name is butanedioic acid;zinc;dihydrate.

Molecular Properties

Compound Namebutanedioic acid;zinc;dihydrate
PubChem CID175091968
Molecular FormulaC4H10O6Zn
Molecular Weight219.51 g/mol
Exact Mass217.98
IUPAC Namebutanedioic acid;zinc;dihydrate
SMILESO.O.O=C(O)CCC(=O)O.[Zn]
InChIInChI=1S/C4H6O4.2H2O.Zn/c5-3(6)1-2-4(7)8;;;/h1-2H2,(H,5,6)(H,7,8);2*1H2;
InChIKeyNAICYUXGPZCOMR-UHFFFAOYSA-N
XLogP-1.72
TPSA137.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.51
LogP ≤ 5-1.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

butanedioic acid;zinc;dihydrate
CID 175420905
azane;butanedioic acid;dihydrate
CID 141112137
sodium;butanedioic acid;hydride;trihydrate
CID 173259329
bis(butanedioic acid);silane
CID 173419629
butanedioic acid;hydrochloride
CID 87113713
trisodium;butanedioic acid
CID 175698490
bis(butanedioic acid);carbonic acid
CID 159577506
azane;butanedioic acid
CID 87070561
butanedioic acid;oxalonitrile
CID 175322559
bis(butanedioic acid);hydroxylamine
CID 174855273
butanedioic acid;ethene
CID 87532899
bis(butanedioic acid);ethane-1,2-diamine;zinc
CID 173009719

Frequently Asked Questions

What is the IUPAC name of butanedioic acid;zinc;dihydrate?
The IUPAC name of butanedioic acid;zinc;dihydrate (CID 175091968) is butanedioic acid;zinc;dihydrate.
What is the SMILES notation for butanedioic acid;zinc;dihydrate?
The canonical SMILES for butanedioic acid;zinc;dihydrate is O.O.O=C(O)CCC(=O)O.[Zn].
What is the InChIKey of butanedioic acid;zinc;dihydrate?
The InChIKey is NAICYUXGPZCOMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6O4.2H2O.Zn/c5-3(6)1-2-4(7)8;;;/h1-2H2,(H,5,6)(H,7,8);2*1H2;.
What are the key properties of butanedioic acid;zinc;dihydrate?
butanedioic acid;zinc;dihydrate has a molecular weight of 219.51 g/mol, XLogP of -1.72, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butanedioic acid;zinc;dihydrate is sourced from PubChem (CID 175091968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).