7-Angelylretronecine

Catalog Number	ACM6029829
CAS Number	6029-82-9
Molecular Weight	237.29
InChI	InChI=1S/C13H19NO3/c1-3-9(2)13(16)17-11-5-7-14-6-4-10(8-15)12(11)14/h3-4,11-12,15H,5-8H2,1-2H3/b9-3-/t11-,12-/m1/s1
InChI Key	TYGYPIIOOQNWBU-BTRLNGJCSA-N
Melting Point	76-77 °C
Purity	95%+
Complexity	373
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	2
Exact Mass	237.13649347
Heavy Atom Count	17
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isomeric SMILES	C/C=C(/C)\C(=O)O[C@@H]1CCN2[C@@H]1C(=CC2)CO
Monoisotopic Mass	237.13649347
PhysicalState	Powder
Rotatable Bond Count	4
Topological Polar Surface Area	49.8 Ų

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