3-chloro-2-oxopropanoate

C3H2ClO3- — CID 51409882

IUPAC3-chloro-2-oxopropanoate
SMILESO=C([O-])C(=O)CCl
InChIInChI=1S/C3H3ClO3/c4-1-2(5)3(6)7/h1H2,(H,6,7)/p-1
InChIKeyRCWFNCXDFSOVLG-UHFFFAOYSA-M
MW121.50 g/mol
LogP-1.46
Rot. Bonds2

About 3-chloro-2-oxopropanoate

3-chloro-2-oxopropanoate (PubChem CID 51409882) has the molecular formula C3H2ClO3- and a molecular weight of 121.50 g/mol. Its IUPAC name is 3-chloro-2-oxopropanoate.

Molecular Properties

Compound Name3-chloro-2-oxopropanoate
PubChem CID51409882
Molecular FormulaC3H2ClO3-
Molecular Weight121.50 g/mol
Exact Mass120.97
IUPAC Name3-chloro-2-oxopropanoate
SMILESO=C([O-])C(=O)CCl
InChIInChI=1S/C3H3ClO3/c4-1-2(5)3(6)7/h1H2,(H,6,7)/p-1
InChIKeyRCWFNCXDFSOVLG-UHFFFAOYSA-M
XLogP-1.46
TPSA57.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.50
LogP ≤ 5-1.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

potassium;sodium;bis(2-chloroacetate)
CID 157286926
beryllium bis(2-chloroacetate)
CID 146405283
tris(2-chloroacetate);iron(3+)
CID 54761770
magnesium;2-chloroacetate;chloride
CID 18003403
cerium;oxalate
CID 8762
1,5-dichloro-3-methylidenepentane-2,4-dione
CID 20515761
potassium 3-hydroxy-2-oxopropanoate
CID 117064470
dichloromethane;palladium(2+);diacetate
CID 175069770
methyl 3-chloro-2-oxopropanoate
CID 12530121
sodium;3-hydroxy-2-oxopropanoate;hydrate
CID 117064447
iron(3+);oxalate
CID 165359506
dipotassium;disodium;dicarbonate
CID 23505264

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-oxopropanoate?
The IUPAC name of 3-chloro-2-oxopropanoate (CID 51409882) is 3-chloro-2-oxopropanoate.
What is the SMILES notation for 3-chloro-2-oxopropanoate?
The canonical SMILES for 3-chloro-2-oxopropanoate is O=C([O-])C(=O)CCl.
What is the InChIKey of 3-chloro-2-oxopropanoate?
The InChIKey is RCWFNCXDFSOVLG-UHFFFAOYSA-M. The full InChI is InChI=1S/C3H3ClO3/c4-1-2(5)3(6)7/h1H2,(H,6,7)/p-1.
What are the key properties of 3-chloro-2-oxopropanoate?
3-chloro-2-oxopropanoate has a molecular weight of 121.50 g/mol, XLogP of -1.46, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-oxopropanoate is sourced from PubChem (CID 51409882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).