bis(acetyloxy)scandiotris(ylium) acetate hydrate

bis(acetyloxy)scandiotris(ylium) acetate hydrate

CAS: 207671-51-0

Formula: C6H11O7Sc

SMILES: O.CC(=O)O[Sc+3](OC(C)=O)OC(C)=O

IUPAC: bis(acetyloxy)scandiotris(ylium) acetate hydrate

InChI: InChI=1S/3C2H4O2.H2O.Sc/c31-2(3)4;;/h31H3,(H,3,4);1H2;/q;;;;+6/p-3

Composition: C (30.01%), H (4.62%), O (46.64%), Sc (18.72%)

Molar Mass: 240.101

Atom Count: 25

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	0
Exact Mass	240.00474
Formal Charge	3
FSP3	0.5
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	NYDNEFFPFHMYMW-UHFFFAOYSA-K
Lipinski's Rule of Five	1
Molar Refractivity	35.15
Topological Polar Surface Area	78.9
Polarizability	17.54
Ring Count	0
Rotatable Bond Count	6

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