CAS
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Methyl 4-[(4-formyl-2-methoxyphenoxy)methyl]benzoate
Catalog Number
ACMA00002769
Category
Ethers
Molecular Weight
300.31
Molecular Formula
C17H15F3O3
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Specification
Hazard Statements
H301-H319
RIDADR
UN 2811 6.1 / PGIII
Symbol
GHS06
What is the molecular formula of the compound?
The molecular formula of the compound is C17H16O5.
What are the synonyms for the compound?
The synonyms for the compound include 351336-10-2, methyl 4-[(4-formyl-2-methoxyphenoxy)methyl]benzoate, methyl 4-(4-formyl-2-methoxyphenoxymethyl)benzoate, C17H16O5, and 4-(4-Formyl-2-methoxy-phenoxymethyl)-benzoic acid methyl ester.
What is the molecular weight of the compound?
The molecular weight of the compound is 300.30 g/mol.
What is the IUPAC name of the compound?
The IUPAC name of the compound is methyl 4-[(4-formyl-2-methoxyphenoxy)methyl]benzoate.
What is the InChI of the compound?
The InChI of the compound is InChI=1S/C17H16O5/c1-20-16-9-13(10-18)5-8-15(16)22-11-12-3-6-14(7-4-12)17(19)21-2/h3-10H,11H2,1-2H3.
What is the InChIKey of the compound?
The InChIKey of the compound is SXQFUFPFCNTWEB-UHFFFAOYSA-N.
What is the canonical SMILES of the compound?
The canonical SMILES of the compound is COC1=C(C=CC(=C1)C=O)OCC2=CC=C(C=C2)C(=O)OC.
What is the XLogP3-AA value of the compound?
The XLogP3-AA value of the compound is 2.7.
How many hydrogen bond donor counts does the compound have?
The compound has 0 hydrogen bond donor counts.
How many hydrogen bond acceptor counts does the compound have?
The compound has 5 hydrogen bond acceptor counts.
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