CID 87058070

C3H4KO4 — CID 87058070

IUPAC—
SMILESO=C(O)CC(=O)O.[K]
InChIInChI=1S/C3H4O4.K/c4-2(5)1-3(6)7;/h1H2,(H,4,5)(H,6,7);
InChIKeyWLNXUYIIBVRGBH-UHFFFAOYSA-N
MW143.16 g/mol
LogP-0.84
Rot. Bonds2

About CID 87058070

CID 87058070 (PubChem CID 87058070) has the molecular formula C3H4KO4 and a molecular weight of 143.16 g/mol.

Molecular Properties

Compound NameCID 87058070
PubChem CID87058070
Molecular FormulaC3H4KO4
Molecular Weight143.16 g/mol
Exact Mass142.97
IUPAC Name—
SMILESO=C(O)CC(=O)O.[K]
InChIInChI=1S/C3H4O4.K/c4-2(5)1-3(6)7;/h1H2,(H,4,5)(H,6,7);
InChIKeyWLNXUYIIBVRGBH-UHFFFAOYSA-N
XLogP-0.84
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.16
LogP ≤ 5-0.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Malonic Acid
CID 867
2-Fluoropropanedioic acid
CID 18365
(2H2)Malonic (2H2)acid
CID 123087
Propanedioic acid, potassium salt (1:1)
CID 23673630
malonic acid, fluoro-, potassium salt
CID 23691016
(1,3-~13~C_2_)Propanedioic acid
CID 16213460
Methanetricarboxylic acid
CID 274406
Copper, (propanedioato(2-)-kappaO1,kappaO3)-
CID 81687
Malonic acid-2-13C
CID 11332425
Malonic Acid-1,2,3-13C3
CID 16213461
Malonic acid, monosodium salt
CID 23719500
Ammonium hydrogen malonate
CID 129664901

Frequently Asked Questions

What is the IUPAC name of CID 87058070?
The IUPAC name of CID 87058070 (CID 87058070) is not available.
What is the SMILES notation for CID 87058070?
The canonical SMILES for CID 87058070 is O=C(O)CC(=O)O.[K].
What is the InChIKey of CID 87058070?
The InChIKey is WLNXUYIIBVRGBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4O4.K/c4-2(5)1-3(6)7;/h1H2,(H,4,5)(H,6,7);.
What are the key properties of CID 87058070?
CID 87058070 has a molecular weight of 143.16 g/mol, XLogP of -0.84, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 87058070 is sourced from PubChem (CID 87058070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).