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3-Hydroxy-1-(4-methoxyphenyl)cyclobutanecarboxylic acid

Catalog Number
ACMA00002276
Category
Ethers
Molecular Weight
222.24
Molecular Formula
C12H14O3

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Specification

Hazard Statements
H302
RIDADR
NONH for all modes of transport
Symbol
GHS07
What is the IUPAC name of the compound?

The IUPAC name of the compound is 3-hydroxy-1-(4-methoxyphenyl)cyclobutane-1-carboxylic acid.

What is the molecular formula of the compound?

The molecular formula of the compound is C12H14O4.

What is the molecular weight of the compound?

The molecular weight of the compound is 222.24 g/mol.

What is the InChI of the compound?

The InChI of the compound is InChI=1S/C12H14O4/c1-16-10-4-2-8(3-5-10)12(11(14)15)6-9(13)7-12/h2-5,9,13H,6-7H2,1H3,(H,14,15).

What is the InChIKey of the compound?

The InChIKey of the compound is LFTFNYUHJMESTD-UHFFFAOYSA-N.

What is the canonical SMILES of the compound?

The canonical SMILES of the compound is COC1=CC=C(C=C1)C2(CC(C2)O)C(=O)O.

What is the CAS number of the compound?

The CAS number of the compound is 1353636-86-8.

What is the XLogP3-AA value of the compound?

The XLogP3-AA value of the compound is 1.1.

How many hydrogen bond donor counts does the compound have?

The compound has 2 hydrogen bond donor counts.

How many hydrogen bond acceptor counts does the compound have?

The compound has 4 hydrogen bond acceptor counts.

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