cobalt;2-hydroxybutanedioic acid

C4H6CoO5 — CID 87544145

IUPACcobalt;2-hydroxybutanedioic acid
SMILESO=C(O)CC(O)C(=O)O.[Co]
InChIInChI=1S/C4H6O5.Co/c5-2(4(8)9)1-3(6)7;/h2,5H,1H2,(H,6,7)(H,8,9);
InChIKeyPYHOFXKJQVQUMM-UHFFFAOYSA-N
MW193.02 g/mol
LogP-1.10
Rot. Bonds3

About cobalt;2-hydroxybutanedioic acid

cobalt;2-hydroxybutanedioic acid (PubChem CID 87544145) has the molecular formula C4H6CoO5 and a molecular weight of 193.02 g/mol. Its IUPAC name is cobalt;2-hydroxybutanedioic acid.

Molecular Properties

Compound Namecobalt;2-hydroxybutanedioic acid
PubChem CID87544145
Molecular FormulaC4H6CoO5
Molecular Weight193.02 g/mol
Exact Mass192.95
IUPAC Namecobalt;2-hydroxybutanedioic acid
SMILESO=C(O)CC(O)C(=O)O.[Co]
InChIInChI=1S/C4H6O5.Co/c5-2(4(8)9)1-3(6)7;/h2,5H,1H2,(H,6,7)(H,8,9);
InChIKeyPYHOFXKJQVQUMM-UHFFFAOYSA-N
XLogP-1.10
TPSA94.83 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.02
LogP ≤ 5-1.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 173385796
(Z)-but-2-enedioic acid;2-hydroxybutanedioic acid
CID 87256588
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CID 174988031
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Frequently Asked Questions

What is the IUPAC name of cobalt;2-hydroxybutanedioic acid?
The IUPAC name of cobalt;2-hydroxybutanedioic acid (CID 87544145) is cobalt;2-hydroxybutanedioic acid.
What is the SMILES notation for cobalt;2-hydroxybutanedioic acid?
The canonical SMILES for cobalt;2-hydroxybutanedioic acid is O=C(O)CC(O)C(=O)O.[Co].
What is the InChIKey of cobalt;2-hydroxybutanedioic acid?
The InChIKey is PYHOFXKJQVQUMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6O5.Co/c5-2(4(8)9)1-3(6)7;/h2,5H,1H2,(H,6,7)(H,8,9);.
What are the key properties of cobalt;2-hydroxybutanedioic acid?
cobalt;2-hydroxybutanedioic acid has a molecular weight of 193.02 g/mol, XLogP of -1.10, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cobalt;2-hydroxybutanedioic acid is sourced from PubChem (CID 87544145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).