CAS
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2-(4-Chlorophenoxy)pentanoic acid
Catalog Number
ACMA00002162
Category
Ethers
Molecular Weight
228.67
Molecular Formula
C11H12O4
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Specification
Hazard Statements
H319
RIDADR
NONH for all modes of transport
Symbol
GHS07
What is the IUPAC name of the compound?
The IUPAC name of the compound is 2-(4-chlorophenoxy)pentanoic acid.
What is the molecular formula of the compound?
The molecular formula of the compound is C11H13ClO3.
What is the molecular weight of the compound?
The molecular weight of the compound is 228.67 g/mol.
What is the InChI of the compound?
The InChI of the compound is InChI=1S/C11H13ClO3/c1-2-3-10(11(13)14)15-9-6-4-8(12)5-7-9/h4-7,10H,2-3H2,1H3,(H,13,14).
What is the InChIKey of the compound?
The InChIKey of the compound is CBGZZDWFWLXZEU-UHFFFAOYSA-N.
What is the canonical SMILES of the compound?
The canonical SMILES of the compound is CCCC(C(=O)O)OC1=CC=C(C=C1)Cl.
What is the XLogP3-AA value of the compound?
The XLogP3-AA value of the compound is 3.4.
How many hydrogen bond donor counts does the compound have?
The compound has 1 hydrogen bond donor count.
How many hydrogen bond acceptor counts does the compound have?
The compound has 3 hydrogen bond acceptor counts.
How many rotatable bond counts does the compound have?
The compound has 5 rotatable bond counts.
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