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2-(4-Acetylphenoxy)-2-phenylacetic acid

Catalog Number
ACMA00002977
Category
Ethers
Molecular Weight
270.28
Molecular Formula
C16H14Cl2O3

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Specification

Hazard Statements
H319
RIDADR
UN 2811 6.1 / PGIII
Symbol
GHS07
What is the molecular formula of the compound?

The molecular formula is C16H14O4.

What is the molecular weight of the compound?

The molecular weight is 270.28 g/mol.

What is the IUPAC name of the compound?

The IUPAC name is 2-(4-acetylphenoxy)-2-phenylacetic acid.

What is the InChI of the compound?

The InChI is InChI=1S/C16H14O4/c1-11(17)12-7-9-14(10-8-12)20-15(16(18)19)13-5-3-2-4-6-13/h2-10,15H,1H3,(H,18,19).

What is the InChIKey of the compound?

The InChIKey is BMEHMYIRXJTQGE-UHFFFAOYSA-N.

What is the canonical SMILES of the compound?

The canonical SMILES is CC(=O)C1=CC=C(C=C1)OC(C2=CC=CC=C2)C(=O)O.

What is the CAS number of the compound?

The CAS number is 885949-44-0.

What is the XLogP3-AA value of the compound?

The XLogP3-AA value is 2.9.

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 4 hydrogen bond acceptor counts.

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