Isoferuloyltyramine

Catalog Number	ACM640235901
CAS Number	640235-90-1
Synonyms	Tamgermanetin
Molecular Weight	313.3
InChI	InChI=1S/C18H19NO4/c1-23-17-8-4-14(12-16(17)21)5-9-18(22)19-11-10-13-2-6-15(20)7-3-13/h2-9,12,20-21H,10-11H2,1H3,(H,19,22)/b9-5+
InChI Key	YVJONNCAHSDDLZ-WEVVVXLNSA-N
Purity	95%+
Complexity	391
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Exact Mass	313.13140809
Heavy Atom Count	23
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	3
Isomeric SMILES	COC1=C(C=C(C=C1)/C=C/C(=O)NCCC2=CC=C(C=C2)O)O
Monoisotopic Mass	313.13140809
PhysicalState	Powder
Rotatable Bond Count	6
Topological Polar Surface Area	78.8 Ų

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