Molecule ID: 5328791

IUPAC Name: (E)-2-cyano-3-(4-hydroxyphenyl)prop-2-enoic acid

Description: The molecule is a monohydroxycinnamic acid that is 4-hydroxycinnamic acid in which the hydrogen alpha- to the carboxy group is replaced by a cyano group. It is used as a matrix in matrix-assisted laser desorption/ionization (MALDI) mass spectrometry for the analysis of peptides and oligonucleotides. It has a role as a MALDI matrix material. It is a nitrile, a member of phenols and a monohydroxycinnamic acid.

SMILES: N#C/C(=C\c1ccc(O)cc1)C(=O)O

SELFIES: [N][#C][/C][=Branch1][=N][=C][\C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][O]

InChI: InChI=1S/C10H7NO3/c11-6-8(10(13)14)5-7-1-3-9(12)4-2-7/h1-5,12H,(H,13,14)/b8-5+

Molecular Properties:
- Polar Surface Area: 81.3 Ų
- LogP: 1.4