(3E)-4-(1H-Indol-3-yl)but-3-en-2-one

CAS	57598-80-8
Description	(3E)-4-(1H-Indol-3-yl)but-3-en-2-one is a marine derived natural products found in Tedania (Tedania) ignis.
IUPAC Name	4-(1H-Indol-3-yl)but-3-en-2-one
Molecular Weight	185.22
Canonical SMILES	CC(=O)C=CC1=CNC2=CC=CC=C21
InChI	InChI=1S/C12H11NO/c1-9(14)6-7-10-8-13-12-5-3-2-4-11(10)12/h2-8,13H,1H3
InChI Key	YJRJWAUDTYJBNF-UHFFFAOYSA-N
Purity	95%+
Complexity	247
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Exact Mass	185.084063974
Heavy Atom Count	14
Monoisotopic Mass	185.084063974
Physical State	Powder
Storage Conditions	Powder: -20°C for 3 years In solvent: -80°C for 2 years
Topological Polar Surface Area	32.9 Ų