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2-(4-Formyl-2-methoxy-6-nitrophenoxy)propanoic acid

Catalog Number
ACMA00002184
Category
Ethers
Molecular Weight
269.21
Molecular Formula
C11H11NO4

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Specification

Hazard Statements
H302
RIDADR
NONH for all modes of transport
Symbol
GHS07
What is the molecular formula of 2-(4-formyl-2-methoxy-6-nitrophenoxy)propanoic acid?

The molecular formula is C11H11NO7.

What is the molecular weight of 2-(4-formyl-2-methoxy-6-nitrophenoxy)propanoic acid?

The molecular weight is 269.21 g/mol.

What is the IUPAC name of the compound?

The IUPAC name is 2-(4-formyl-2-methoxy-6-nitrophenoxy)propanoic acid.

What is the InChI of the compound?

The InChI is InChI=1S/C11H11NO7/c1-6(11(14)15)19-10-8(12(16)17)3-7(5-13)4-9(10)18-2/h3-6H,1-2H3,(H,14,15).

What is the InChIKey of the compound?

The InChIKey is JANBLAADNZANNL-UHFFFAOYSA-N.

What is the canonical SMILES of the compound?

The canonical SMILES is CC(C(=O)O)OC1=C(C=C(C=C1OC)C=O)[N+](=O)[O-].

What is the CAS number of the compound?

The CAS number is 812642-66-3.

What is the XLogP3-AA value of the compound?

The XLogP3-AA value is 1.2.

What is the hydrogen bond donor count of the compound?

The hydrogen bond donor count is 1.

What is the hydrogen bond acceptor count of the compound?

The hydrogen bond acceptor count is 7.

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