What is the SMART query for carboxylic acids ???

1 Answer
Truong-Son N.
Aug 31, 2015

I think you mean SMARTS query? Looks like there is a descriptive language for molecules called SMARTS.

It does not seem like something you need to use for extremely complicated molecules, as this notation can get fairly cumbersome to write.

http://fbdd-lit.blogspot.com/2011/09/smarts-way-to-do-things_15.html

#"[O;H,-]C=O"# is the notation to specify a carboxylic acid that is either a regular one or a salt, e.g. sodium benzoate. In other words, this notation allows for #"RCOO"^(-)# as well as #"RCOOH"#.

Or...

#"[OH]C=O"# specifies a neutral carboxylic acid.

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