Isococaine

Catalog Number	ACM478739
CAS Number	478-73-9
Synonyms	(S)-Pseudococaine
Molecular Weight	303.35
InChI	InChI=1S/C17H21NO4/c1-18-12-8-9-13(18)15(17(20)21-2)14(10-12)22-16(19)11-6-4-3-5-7-11/h3-7,12-15H,8-10H2,1-2H3/t12-,13+,14-,15-/m0/s1
InChI Key	ZPUCINDJVBIVPJ-XGUBFFRZSA-N
Melting Point	47 °C
Purity	95%+
Complexity	432
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	4
Exact Mass	303.14705815
Heavy Atom Count	22
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
Isomeric SMILES	CN1[C@H]2CC[C@@H]1[C@@H]([C@H](C2)OC(=O)C3=CC=CC=C3)C(=O)OC
Monoisotopic Mass	303.14705815
PhysicalState	Powder
Rotatable Bond Count	5
Topological Polar Surface Area	55.8 Ų

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