2-chloroacetic acid;2-methoxyacetic acid

C5H9ClO5 — CID 162031776

IUPAC2-chloroacetic acid;2-methoxyacetic acid
SMILESCOCC(=O)O.O=C(O)CCl
InChIInChI=1S/C3H6O3.C2H3ClO2/c1-6-2-3(4)5;3-1-2(4)5/h2H2,1H3,(H,4,5);1H2,(H,4,5)
InChIKeyYWCQOGGMQFXXOV-UHFFFAOYSA-N
MW184.57 g/mol
LogP0.03
Rot. Bonds3

About 2-chloroacetic acid;2-methoxyacetic acid

2-chloroacetic acid;2-methoxyacetic acid (PubChem CID 162031776) has the molecular formula C5H9ClO5 and a molecular weight of 184.57 g/mol. Its IUPAC name is 2-chloroacetic acid;2-methoxyacetic acid.

Molecular Properties

Compound Name2-chloroacetic acid;2-methoxyacetic acid
PubChem CID162031776
Molecular FormulaC5H9ClO5
Molecular Weight184.57 g/mol
Exact Mass184.01
IUPAC Name2-chloroacetic acid;2-methoxyacetic acid
SMILESCOCC(=O)O.O=C(O)CCl
InChIInChI=1S/C3H6O3.C2H3ClO2/c1-6-2-3(4)5;3-1-2(4)5/h2H2,1H3,(H,4,5);1H2,(H,4,5)
InChIKeyYWCQOGGMQFXXOV-UHFFFAOYSA-N
XLogP0.03
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.57
LogP ≤ 50.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-methoxyacetic acid;titanium
CID 174298740
2-methoxyacetic acid;silver
CID 158784523
2-methoxyacetic acid;oxalic acid
CID 162328994
2-methoxyacetic acid;oxaldehydic acid
CID 159112040
methanol;2-methoxyacetic acid;2-methoxyacetyl fluoride
CID 91331782
acetic acid;2-chloroacetic acid
CID 87108271
2-chloroacetic acid;silver
CID 87585147
nonaheptacontasodium;nonakis(2-chloroacetic acid)
CID 173182170
2-methoxyacetic acid;tetrapropylazanium
CID 174750035
2-chloroacetic acid;N,N-dimethylmethanamine
CID 87770829
ethanol;ethyl 2-methoxyacetate;2-methoxyacetic acid
CID 159692110
sodium;2-chloroacetic acid;trimethylsilanide
CID 159860782

Frequently Asked Questions

What is the IUPAC name of 2-chloroacetic acid;2-methoxyacetic acid?
The IUPAC name of 2-chloroacetic acid;2-methoxyacetic acid (CID 162031776) is 2-chloroacetic acid;2-methoxyacetic acid.
What is the SMILES notation for 2-chloroacetic acid;2-methoxyacetic acid?
The canonical SMILES for 2-chloroacetic acid;2-methoxyacetic acid is COCC(=O)O.O=C(O)CCl.
What is the InChIKey of 2-chloroacetic acid;2-methoxyacetic acid?
The InChIKey is YWCQOGGMQFXXOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6O3.C2H3ClO2/c1-6-2-3(4)5;3-1-2(4)5/h2H2,1H3,(H,4,5);1H2,(H,4,5).
What are the key properties of 2-chloroacetic acid;2-methoxyacetic acid?
2-chloroacetic acid;2-methoxyacetic acid has a molecular weight of 184.57 g/mol, XLogP of 0.03, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloroacetic acid;2-methoxyacetic acid is sourced from PubChem (CID 162031776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).