2-chloro-2-hydroxy-2-(1-hydroxy-2-methylcyclopropyl)acetic acid

C6H9ClO4 — CID 67737079

IUPAC2-chloro-2-hydroxy-2-(1-hydroxy-2-methylcyclopropyl)acetic acid
SMILESCC1CC1(O)C(O)(Cl)C(=O)O
InChIInChI=1S/C6H9ClO4/c1-3-2-5(3,10)6(7,11)4(8)9/h3,10-11H,2H2,1H3,(H,8,9)
InChIKeyQYIYRVLOCGHLKJ-UHFFFAOYSA-N
MW180.59 g/mol
LogP-0.23
Rot. Bonds2

About 2-chloro-2-hydroxy-2-(1-hydroxy-2-methylcyclopropyl)acetic acid

2-chloro-2-hydroxy-2-(1-hydroxy-2-methylcyclopropyl)acetic acid (PubChem CID 67737079) has the molecular formula C6H9ClO4 and a molecular weight of 180.59 g/mol. Its IUPAC name is 2-chloro-2-hydroxy-2-(1-hydroxy-2-methylcyclopropyl)acetic acid.

Molecular Properties

Compound Name2-chloro-2-hydroxy-2-(1-hydroxy-2-methylcyclopropyl)acetic acid
PubChem CID67737079
Molecular FormulaC6H9ClO4
Molecular Weight180.59 g/mol
Exact Mass180.02
IUPAC Name2-chloro-2-hydroxy-2-(1-hydroxy-2-methylcyclopropyl)acetic acid
SMILESCC1CC1(O)C(O)(Cl)C(=O)O
InChIInChI=1S/C6H9ClO4/c1-3-2-5(3,10)6(7,11)4(8)9/h3,10-11H,2H2,1H3,(H,8,9)
InChIKeyQYIYRVLOCGHLKJ-UHFFFAOYSA-N
XLogP-0.23
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.59
LogP ≤ 5-0.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-2-hydroxy-2-(1-hydroxy-2-methylcyclopropyl)acetic acid?
The IUPAC name of 2-chloro-2-hydroxy-2-(1-hydroxy-2-methylcyclopropyl)acetic acid (CID 67737079) is 2-chloro-2-hydroxy-2-(1-hydroxy-2-methylcyclopropyl)acetic acid.
What is the SMILES notation for 2-chloro-2-hydroxy-2-(1-hydroxy-2-methylcyclopropyl)acetic acid?
The canonical SMILES for 2-chloro-2-hydroxy-2-(1-hydroxy-2-methylcyclopropyl)acetic acid is CC1CC1(O)C(O)(Cl)C(=O)O.
What is the InChIKey of 2-chloro-2-hydroxy-2-(1-hydroxy-2-methylcyclopropyl)acetic acid?
The InChIKey is QYIYRVLOCGHLKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9ClO4/c1-3-2-5(3,10)6(7,11)4(8)9/h3,10-11H,2H2,1H3,(H,8,9).
What are the key properties of 2-chloro-2-hydroxy-2-(1-hydroxy-2-methylcyclopropyl)acetic acid?
2-chloro-2-hydroxy-2-(1-hydroxy-2-methylcyclopropyl)acetic acid has a molecular weight of 180.59 g/mol, XLogP of -0.23, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-2-hydroxy-2-(1-hydroxy-2-methylcyclopropyl)acetic acid is sourced from PubChem (CID 67737079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).